data_2lxd_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 2lxd _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 ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 111.466 0.172 . . . . 75.44 111.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 47.6 t -80.98 105.42 12.19 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 121.352 0.596 . . . . 74.54 110.705 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.95 -8.27 21.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.118 . . . . 65.22 114.02 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.1 t -91.71 -50.87 5.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.754 0.279 . . . . 73.32 111.754 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 p -101.41 -2.5 30.71 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.823 0.305 . . . . 73.22 111.823 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 55.66 44.57 26.23 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.909 0.883 . . . . 63.35 111.867 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.32 149.53 42.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.5 -0.773 . . . . 75.41 110.156 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -65.39 124.9 23.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.701 -0.681 . . . . 73.24 112.015 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.8 mt -87.72 98.37 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.919 -0.771 . . . . 74.1 108.919 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.4 tmt_? -147.84 159.72 43.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.415 -0.811 . . . . 73.25 111.951 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.34 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.978 1.311 . . . . 73.32 114.36 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.493 ' O ' ' HG3' ' A' ' 23' ' ' MET . 11.9 t80 -68.94 -63.42 1.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.566 0.347 . . . . 64.44 111.359 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 23' ' ' MET . 0.0 OUTLIER 34.28 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.9 1.28 . . . . 64.3 114.271 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.564 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 66.0 mtt 50.81 55.82 8.95 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.93 0.892 . . . . 73.45 111.557 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 32' ' ' TYR . 24.5 p -132.74 165.51 24.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.209 -0.905 . . . . 74.24 112.065 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.511 ' SD ' ' HA3' ' A' ' 89' ' ' GLY . 21.1 ttp -93.45 160.06 14.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.409 -0.814 . . . . 73.33 110.054 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.479 ' O ' ' HE1' ' A' ' 25' ' ' MET . 38.5 ttt180 -84.71 115.62 22.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.192 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -87.51 -179.22 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 115.71 -0.677 . . . . 71.34 110.293 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' H ' HG12 ' A' ' 27' ' ' VAL . 65.7 mttm -51.19 -67.38 0.26 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.475 0.917 . . . . 71.52 113.475 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -120.53 -42.87 2.52 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.121 0.415 . . . . 72.31 112.121 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 72.1 mttt -108.14 144.62 35.29 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.259 0.35 . . . . 74.21 111.896 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 4.9 t -105.47 143.19 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.646 -0.706 . . . . 72.34 109.195 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.528 ' O ' HG22 ' A' ' 24' ' ' THR . 33.1 m-85 -134.23 152.16 51.68 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.337 0.398 . . . . 73.03 111.458 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.727 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 38.1 m80 -65.65 159.72 24.24 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.132 0.573 . . . . 74.32 111.436 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.39 -44.32 87.91 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.135 0.272 . . . . 74.42 110.802 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.11 -28.04 68.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.872 -0.604 . . . . 74.12 111.024 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.727 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -88.05 -3.26 58.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.463 -0.79 . . . . 64.13 111.424 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -85.85 62.1 7.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.475 0.655 . . . . 74.33 110.066 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.4 mttt -120.26 162.9 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.228 -0.896 . . . . 74.22 111.496 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 8.9 t -66.16 147.5 53.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.918 -0.583 . . . . 74.45 111.978 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.9 -18.63 39.51 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.544 0.572 . . . . 65.45 112.544 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -108.13 -43.75 4.32 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.19 0.441 . . . . 62.42 112.19 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -95.39 -19.99 19.47 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.331 0.394 . . . . 72.25 111.89 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 67.36 2.0 2.69 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.054 0.941 . . . . 74.42 112.357 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -66.16 162.98 18.63 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.223 0.609 . . . . 72.43 111.494 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -97.51 148.3 23.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.04 -0.527 . . . . 71.44 111.119 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.499 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 5.9 m-85 -98.7 153.11 18.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.695 -0.684 . . . . 74.55 110.814 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.6 p -120.55 157.64 29.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.438 -0.801 . . . . 65.21 111.199 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.63 132.58 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.045 -0.525 . . . . 74.21 112.004 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -16.02 36.49 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.583 0.552 . . . . 73.41 113.205 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.62 150.67 21.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.336 0.255 . . . . 71.24 110.946 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.16 131.84 34.56 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -121.41 154.73 36.13 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.504 0.503 . . . . 65.34 111.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.61 126.34 51.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.583 -0.735 . . . . 72.44 109.594 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 tt -87.63 113.42 23.3 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.856 -0.611 . . . . 61.4 110.726 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -90.5 176.32 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.427 -0.806 . . . . 73.45 110.755 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.5 m-80 -47.94 -35.68 11.12 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.795 1.035 . . . . 75.13 113.795 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.606 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 54.0 p -109.3 -69.84 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.284 0.476 . . . . 70.43 112.284 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.606 ' H ' ' HG ' ' A' ' 57' ' ' SER . 7.9 m-20 -120.37 -161.12 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.242 0.217 . . . . 75.52 111.403 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -92.16 138.68 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.605 0.362 . . . . 75.25 110.266 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.525 HG11 ' OD2' ' A' ' 64' ' ' ASP . 88.5 t -120.52 116.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.864 -0.607 . . . . 75.51 110.377 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 p -66.26 158.72 28.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.31 -0.404 . . . . 72.41 111.912 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.83 -17.96 28.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.419 0.896 . . . . 74.23 113.419 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -65.86 -45.09 83.43 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.793 0.664 . . . . 75.13 112.793 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.525 ' OD2' HG11 ' A' ' 60' ' ' VAL . 10.9 p-10 -110.83 5.12 20.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.03 0.752 . . . . 42.3 113.03 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -53.7 -49.94 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 113.028 0.751 . . . . 74.41 113.028 -178.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.591 ' HH ' ' HZ2' ' A' ' 70' ' ' LYS . 54.5 t80 -61.61 -53.81 51.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.062 0.393 . . . . 72.11 112.062 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.7 mt-10 -65.39 -38.05 88.84 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.013 0.746 . . . . 63.44 113.013 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.483 ' HE1' HG12 ' A' ' 55' ' ' ILE . 56.1 t-105 -65.35 -53.41 43.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.727 0.411 . . . . 73.13 111.711 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -64.69 -29.6 70.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.765 0.426 . . . . 73.14 111.722 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HZ2' ' HH ' ' A' ' 66' ' ' TYR . 36.4 tttp -65.39 -37.43 86.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.368 -0.833 . . . . 74.32 112.684 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 67' ' ' GLU . 30.0 mm -83.97 -47.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.492 0.553 . . . . 74.41 112.492 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -94.76 5.42 51.93 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.912 0.708 . . . . 74.11 112.912 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.619 0 C-N-CA 121.2 -0.524 . . . . 72.21 112.503 179.713 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.554 0.216 . . . . 73.24 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.64 145.83 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 115.93 -0.577 . . . . 72.11 109.922 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -119.57 147.93 43.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.698 -0.683 . . . . 73.44 111.213 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.85 145.17 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.741 -0.663 . . . . 74.41 110.318 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.55 109.31 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-O 120.946 0.403 . . . . 74.34 111.196 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.511 ' HA3' ' SD ' ' A' ' 25' ' ' MET . . . -67.39 150.13 51.41 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.421 -0.809 . . . . 72.13 113.666 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.2 155.73 86.82 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.117 -0.468 . . . . 73.12 111.148 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.564 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.0 Cg_endo -81.56 133.88 8.5 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.337 2.025 . . . . 72.51 112.708 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -115.44 117.73 31.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.972 -0.558 . . . . 74.13 111.04 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 93' ' ' LEU . 2.3 pp -65.89 126.54 28.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.771 -0.65 . . . . 74.54 112.184 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 20.5 mmt -65.94 -17.77 64.89 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.843 0.683 . . . . 54.4 112.843 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.43 77.62 2.0 Allowed Glycine 0 C--N 1.342 0.895 0 O-C-N 123.318 0.387 . . . . 70.51 112.967 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.32 111.04 0.49 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.609 -0.329 . . . . 74.41 112.318 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.52 124.18 43.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.664 0.268 . . . . 65.14 111.017 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -124.99 82.97 2.11 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 115.71 -0.677 . . . . 72.34 110.522 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.21 164.15 25.91 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.08 -0.964 . . . . 61.51 112.543 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -128.86 82.66 2.1 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.306 0.574 . . . . 72.42 110.939 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -88.39 -18.88 27.43 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.35 -0.841 . . . . 72.23 112.098 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.78 -31.79 25.72 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.15 0.426 . . . . 71.35 112.15 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.26 -8.78 58.93 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.003 0.371 . . . . 75.34 112.003 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -92.43 -28.88 16.58 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.38 -0.373 . . . . 74.03 111.546 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.72 -42.85 8.93 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.328 0.392 . . . . 75.21 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.406 ' O ' HD13 ' A' ' 106' ' ' ILE . 2.1 pp -130.94 135.59 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.317 -0.401 . . . . 74.41 111.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.6 p -99.3 115.96 30.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.957 -0.565 . . . . 74.35 111.216 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.26 144.13 42.56 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.725 -0.671 . . . . 73.34 110.6 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.65 140.4 34.98 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.989 -0.55 . . . . 71.01 110.956 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -137.84 146.94 44.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.8 -0.636 . . . . 74.35 110.806 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -109.31 124.72 51.41 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.896 -0.593 . . . . 73.5 110.77 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -120.11 146.44 45.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.902 -0.59 . . . . 73.42 111.153 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -128.71 126.56 40.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.819 -0.628 . . . . 74.12 110.404 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--O 1.235 0.307 0 CA-C-N 115.891 -0.595 . . . . 74.15 110.522 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 111.448 0.166 . . . . 75.44 111.448 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.24 110.35 16.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.293 0.568 . . . . 74.54 111.352 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.24 -9.87 36.51 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.843 1.053 . . . . 65.22 113.843 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 t -91.79 -53.86 4.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.988 0.366 . . . . 73.32 111.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.7 p -98.1 -2.49 39.96 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.965 0.357 . . . . 73.22 111.965 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 54.52 43.35 30.44 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.834 0.854 . . . . 63.35 111.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -120.26 151.05 39.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.448 -0.796 . . . . 75.41 110.547 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -65.61 120.98 13.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.815 -0.629 . . . . 73.24 112.011 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.465 HG12 ' NE2' ' A' ' 33' ' ' HIS . 25.7 mt -80.46 98.41 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 115.88 -0.6 . . . . 74.1 109.587 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -147.67 172.63 13.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.488 -0.778 . . . . 73.25 112.019 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.48 -80.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.878 1.271 . . . . 73.32 114.107 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.486 ' O ' ' HG3' ' A' ' 23' ' ' MET . 16.2 t80 -75.6 -54.16 7.43 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.616 0.366 . . . . 64.44 111.044 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 23' ' ' MET . 0.0 OUTLIER 34.01 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.016 1.326 . . . . 64.3 114.419 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 66.5 mtt 51.29 46.52 26.35 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.706 0.802 . . . . 73.45 111.233 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -104.41 159.5 15.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.042 -0.981 . . . . 74.24 112.147 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.55 171.51 7.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.24 -0.891 . . . . 73.33 110.512 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.79 113.03 23.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.884 0.373 . . . . 75.34 111.077 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.529 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -97.06 -179.2 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.638 -0.71 . . . . 71.34 109.658 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.4 mttt -54.37 -69.98 0.11 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.0 0.741 . . . . 71.52 113.0 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -43.3 2.51 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.96 0.355 . . . . 72.31 111.96 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.2 mttt -110.39 141.24 43.72 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.407 0.442 . . . . 74.21 111.47 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 t -101.05 142.54 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.254 -0.647 . . . . 72.34 109.254 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -127.41 150.73 49.5 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.16 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.686 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.6 m80 -65.09 157.84 27.47 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.497 0.498 . . . . 74.32 111.321 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.29 -45.5 84.16 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.16 0.288 . . . . 74.42 110.641 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 43.5 mt-10 -66.28 -30.21 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.783 -0.644 . . . . 74.12 111.238 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.686 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 33.8 m -84.97 -3.52 58.79 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.65 -0.705 . . . . 64.13 111.662 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -88.89 63.05 6.63 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.554 0.692 . . . . 74.33 110.239 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 45' ' ' HIS . 98.1 mttt -120.43 160.59 22.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.18 -0.918 . . . . 74.22 111.325 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 42.0 t -66.06 146.88 54.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.003 -0.544 . . . . 74.45 111.672 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.1 -3.29 57.24 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.847 -0.615 . . . . 65.45 112.13 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' OD2' ' A' ' 64' ' ' ASP . . . -112.09 -48.06 3.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.143 0.423 . . . . 62.42 112.143 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 23.3 p -113.71 -3.46 13.54 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.096 0.406 . . . . 72.25 112.096 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 16.3 mm-40 63.44 15.77 9.03 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.942 0.897 . . . . 74.42 113.014 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.639 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.2 tttm -65.74 163.97 15.53 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.691 0.396 . . . . 72.43 111.548 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.557 ' CE1' ' HE2' ' A' ' 38' ' ' LYS . 41.6 m-70 -94.08 154.79 17.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.962 -0.563 . . . . 71.44 111.171 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.518 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 14.2 m-85 -113.21 142.22 46.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.724 -0.671 . . . . 74.55 110.663 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 p -120.82 159.02 26.32 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.423 -0.808 . . . . 65.21 111.329 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.81 136.29 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 116.014 -0.539 . . . . 74.21 112.103 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.96 -22.49 27.55 Favored Glycine 0 C--N 1.338 0.66 0 CA-C-N 115.93 -0.577 . . . . 73.41 113.21 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.63 151.97 19.54 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.591 0.234 . . . . 71.24 111.175 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -85.45 138.52 32.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.811 -0.631 . . . . 74.23 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.05 154.92 45.12 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.373 0.42 . . . . 65.34 111.527 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tp -109.19 129.92 55.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 72.44 110.015 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -97.59 106.05 18.3 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.811 -0.631 . . . . 61.4 109.992 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -92.92 175.73 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 115.804 -0.635 . . . . 73.45 110.994 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -48.83 -35.93 15.67 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.82 1.044 . . . . 75.13 113.82 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.2 t -107.66 -73.85 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.341 0.497 . . . . 70.43 112.341 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.584 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.4 m-20 -120.35 -166.94 1.37 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.871 0.322 . . . . 75.52 111.871 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -93.72 143.27 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 122.851 0.46 . . . . 75.25 110.192 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.51 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.0 t -120.4 127.52 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 116.003 -0.544 . . . . 75.51 110.162 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.34 157.53 28.92 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.168 0.587 . . . . 72.41 112.257 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 65' ' ' ILE . 43.4 mt-10 -60.28 -22.55 63.27 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.945 -0.57 . . . . 74.23 111.886 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -67.06 -40.59 87.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.257 -0.428 . . . . 75.13 111.613 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' OD2' ' HB1' ' A' ' 41' ' ' ALA . 13.5 m-20 -110.33 5.37 21.55 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.694 0.627 . . . . 42.3 112.694 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.42 -52.64 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 113.058 0.762 . . . . 74.41 113.058 -178.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.2 t80 -61.6 -52.34 64.78 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.522 0.564 . . . . 72.11 112.522 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.563 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.11 -39.81 93.62 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.867 0.692 . . . . 63.44 112.867 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.51 ' CD1' HG21 ' A' ' 60' ' ' VAL . 59.9 t-105 -65.4 -54.45 28.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.635 0.374 . . . . 73.13 111.652 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -60.24 -29.49 68.79 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.042 0.449 . . . . 73.14 111.442 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.8 tttm -65.16 -37.59 87.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.138 -0.937 . . . . 74.32 112.632 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.4 mm -84.05 -47.43 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.525 . . . . 74.41 112.419 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -93.17 5.38 51.72 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.701 0.63 . . . . 74.11 112.701 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.633 0 C-N-CA 121.162 -0.542 . . . . 72.21 112.411 179.758 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.525 0.203 . . . . 73.24 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.95 129.0 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.943 -0.571 . . . . 72.11 110.094 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 mtt -120.23 160.96 21.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.605 -0.725 . . . . 73.44 111.367 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.46 148.89 4.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.823 -0.626 . . . . 74.41 110.418 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.42 110.11 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 116.303 -0.408 . . . . 74.34 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.64 151.1 52.25 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 115.494 -0.775 . . . . 72.13 113.431 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.22 148.77 98.33 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-O 118.984 -0.532 . . . . 73.12 111.366 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -79.63 155.3 24.16 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.368 2.045 . . . . 72.51 112.676 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -119.25 116.65 26.69 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.577 0.548 . . . . 74.13 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.89 127.31 31.53 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.844 -0.617 . . . . 74.54 111.526 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.0 mmt 40.97 -82.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.918 1.287 . . . . 54.4 113.719 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.58 -76.39 1.15 Allowed Glycine 0 C--N 1.343 0.92 0 C-N-CA 121.438 -0.41 . . . . 70.51 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.39 154.41 14.2 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.461 -0.4 . . . . 74.41 112.513 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 60.68 149.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.166 0.987 . . . . 65.14 112.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -97.91 -41.78 7.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.709 -0.678 . . . . 72.34 111.244 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.87 121.61 0.77 Allowed Glycine 0 C--N 1.34 0.791 0 O-C-N 123.392 0.432 . . . . 61.51 112.38 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -137.25 88.76 2.37 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.372 0.606 . . . . 72.42 110.57 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 11.8 tt0 -88.18 -18.94 27.63 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.219 -0.901 . . . . 72.23 111.671 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -84.53 -17.02 40.26 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.449 0.537 . . . . 71.35 112.449 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.12 -38.88 16.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.045 0.387 . . . . 75.34 112.045 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.401 HH21 ' HG3' ' A' ' 101' ' ' GLU . 7.7 ppt_? -88.27 2.86 51.47 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.24 0.459 . . . . 74.03 112.24 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 4.8 tp -95.54 -40.77 9.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.362 -0.381 . . . . 75.21 111.187 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.411 ' H ' HG13 ' A' ' 106' ' ' ILE . 2.1 pp -97.77 152.95 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.386 0.429 . . . . 74.41 111.53 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -116.46 -27.05 6.88 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.745 -0.661 . . . . 74.35 111.701 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 64.59 128.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.013 0.925 . . . . 73.34 112.029 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -129.28 153.51 47.73 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.669 -0.696 . . . . 71.01 110.822 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.19 149.2 21.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.964 -0.562 . . . . 74.35 111.132 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.37 -34.59 10.24 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.811 -0.631 . . . . 73.5 111.18 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.4 p 41.49 109.04 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.767 1.227 . . . . 73.42 113.887 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 64.41 131.95 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.037 0.935 . . . . 74.12 112.123 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.465 0.285 0 CA-C-N 115.662 -0.699 . . . . 74.15 110.933 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 111.683 0.253 . . . . 75.44 111.683 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.2 120.92 7.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.457 0.703 . . . . 74.54 112.805 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.9 66.45 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.322 1.23 . . . . 65.22 114.322 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -89.08 -53.91 4.36 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.348 0.87 . . . . 73.32 113.348 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 p -97.95 6.35 47.8 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.447 0.536 . . . . 73.22 112.447 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.09 51.88 5.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.305 1.042 . . . . 63.35 112.918 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 55.1 mmtt -120.02 144.78 47.35 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.391 -0.822 . . . . 75.41 110.571 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -56.97 123.81 16.47 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.882 0.697 . . . . 73.24 112.882 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.4 mt -84.17 135.12 25.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.549 -0.75 . . . . 74.1 110.036 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 99.2 mtt180 -139.03 -173.74 3.66 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.035 0.534 . . . . 73.25 112.288 -177.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.575 ' O ' ' HB3' ' A' ' 93' ' ' LEU . . . -67.61 3.12 1.49 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.693 1.368 . . . . 73.32 114.693 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 94' ' ' MET . 1.8 t80 -117.67 -33.44 4.54 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.591 0.71 . . . . 64.44 109.187 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 5.6 mm-40 -56.09 -21.49 22.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 115.393 1.627 . . . . 64.3 115.393 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.668 ' HA ' ' N ' ' A' ' 93' ' ' LEU . 32.0 mtt 63.63 135.44 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 118.545 0.612 . . . . 73.45 110.895 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.728 ' H ' ' HA ' ' A' ' 92' ' ' THR . 3.9 p -151.5 127.11 10.13 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.34 0.867 . . . . 74.24 113.34 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.567 ' O ' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -120.31 147.04 45.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.281 178.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.782 ' H ' ' H ' ' A' ' 90' ' ' GLU . 21.1 ttt180 -74.07 110.39 8.32 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.168 0.508 . . . . 75.34 111.888 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.1 t -103.94 -178.91 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.151 -0.931 . . . . 71.34 109.239 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.508 ' H ' HG12 ' A' ' 27' ' ' VAL . 95.7 mttt -51.4 -66.13 0.44 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.992 0.738 . . . . 71.52 112.992 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.71 -42.46 2.52 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.318 0.488 . . . . 72.31 112.318 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.545 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 38.5 mttm -115.96 148.39 40.14 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.05 0.389 . . . . 74.21 112.05 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 25' ' ' MET . 21.4 t -100.75 151.66 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.898 -0.779 . . . . 72.34 108.898 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.49 ' O ' ' HE2' ' A' ' 25' ' ' MET . 64.1 m-85 -131.72 153.73 49.74 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.79 0.663 . . . . 73.03 112.79 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.699 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 2.9 m80 -65.91 159.83 24.73 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.887 -1.051 . . . . 74.32 113.029 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 23' ' ' MET . 2.4 pp -56.29 -48.17 77.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.454 -0.573 . . . . 74.42 109.454 174.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' H ' ' HG ' ' A' ' 34' ' ' LEU . 45.5 mt-10 -65.35 -29.7 70.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.419 -0.81 . . . . 74.12 110.579 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.699 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -93.15 4.07 54.61 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.402 -0.817 . . . . 64.13 111.207 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.428 ' CD1' HD11 ' A' ' 59' ' ' ILE . 27.4 t80 -133.96 52.47 2.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.527 0.68 . . . . 74.33 109.858 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 157.45 33.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.504 -0.771 . . . . 74.22 111.238 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.1 t -66.38 139.55 58.02 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.058 0.223 . . . . 74.45 110.482 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.36 2.23 55.82 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.823 0.675 . . . . 65.45 112.823 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' ASP . . . -116.45 -50.87 2.62 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.251 0.463 . . . . 62.42 112.251 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 18.5 p -99.8 -3.8 31.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.584 0.231 . . . . 72.25 111.422 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.12 9.9 5.06 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.301 1.04 . . . . 74.42 113.204 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 12.9 tptm -66.24 157.67 30.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.792 0.329 . . . . 72.43 111.271 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -105.61 145.53 30.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.663 -0.699 . . . . 71.44 110.632 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.22 135.51 40.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.846 -0.616 . . . . 74.55 110.928 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 m -120.78 171.49 8.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.878 -1.055 . . . . 65.21 111.258 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.32 124.79 20.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 122.883 0.473 . . . . 74.21 111.944 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.08 6.3 37.02 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.763 -0.653 . . . . 73.41 113.843 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -118.36 147.56 43.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.123 0.461 . . . . 71.24 111.349 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -86.11 139.2 31.32 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.82 -0.627 . . . . 74.23 111.0 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.492 ' OH ' HG11 ' A' ' 27' ' ' VAL . 39.2 p90 -137.97 158.52 44.17 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.457 0.473 . . . . 65.34 111.925 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -120.09 129.34 54.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.228 -0.896 . . . . 72.44 108.795 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 55' ' ' ILE . 3.2 tt -89.43 115.65 27.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.105 -0.498 . . . . 61.4 111.699 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.2 tp -86.24 176.62 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 115.203 -0.908 . . . . 73.45 109.713 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.441 HD22 ' CB ' ' A' ' 108' ' ' ARG . 14.7 m-80 -47.71 -38.41 15.17 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.578 0.955 . . . . 75.13 113.578 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.3 t -120.56 -49.57 2.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.774 0.657 . . . . 70.43 112.774 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.583 ' O ' HG22 ' A' ' 55' ' ' ILE . 1.5 m-20 -116.35 -158.89 0.7 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.272 0.471 . . . . 75.52 112.272 -178.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.587 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.5 mp -120.16 134.85 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.12 0.568 . . . . 75.25 109.862 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 68' ' ' TRP . 28.6 t -121.08 127.7 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 123.54 0.525 . . . . 75.51 110.552 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.6 p -65.85 149.64 49.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.351 0.407 . . . . 72.41 111.393 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.538 ' O ' HG21 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.14 -18.66 26.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.319 0.859 . . . . 74.23 113.319 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -65.78 -51.38 59.57 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.093 0.405 . . . . 75.13 112.093 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.432 ' CG ' ' HB2' ' A' ' 41' ' ' ALA . 2.8 p30 -110.89 15.36 21.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.556 0.576 . . . . 42.3 112.556 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.538 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -56.76 -46.47 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 N-CA-C 112.774 0.657 . . . . 74.41 112.774 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.35 -49.21 70.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.874 0.469 . . . . 72.11 111.702 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.549 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -65.7 -28.98 69.47 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.848 0.684 . . . . 63.44 112.848 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.512 ' HE1' HG12 ' A' ' 55' ' ' ILE . 58.3 t-105 -62.87 -57.11 11.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.683 0.253 . . . . 73.13 111.683 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.6 p -66.95 -30.39 70.51 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.883 0.373 . . . . 73.14 111.587 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -66.09 -41.43 90.65 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.285 -0.87 . . . . 74.32 112.578 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 67' ' ' GLU . 43.9 mm -84.66 -32.78 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.538 0.57 . . . . 74.41 112.538 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -68.71 -30.19 68.78 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.062 0.764 . . . . 74.11 113.062 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.499 ' HA2' ' ND2' ' A' ' 111' ' ' ASN . . . . . . . . 0 C--N 1.343 0.928 0 C-N-CA 121.474 -0.394 . . . . 72.21 113.187 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 120.565 0.222 . . . . 73.24 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 t -115.22 144.59 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.875 -0.602 . . . . 72.11 109.9 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.7 mmt -120.08 145.35 46.96 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.777 -0.647 . . . . 73.44 111.224 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.24 157.23 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.667 -0.697 . . . . 74.41 110.513 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 110.17 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 116.041 -0.527 . . . . 74.34 111.082 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 -120.68 0.01 OUTLIER Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.245 -0.889 . . . . 72.13 114.93 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.782 ' H ' ' H ' ' A' ' 26' ' ' ARG . 16.2 mt-10 -50.91 158.6 1.12 Allowed Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 124.497 1.119 . . . . 73.12 113.07 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 24' ' ' THR . 32.8 Cg_endo -70.11 150.71 66.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.347 2.031 . . . . 72.51 115.286 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.728 ' HA ' ' H ' ' A' ' 24' ' ' THR . 9.4 p -102.25 109.35 21.0 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 113.85 -1.523 . . . . 74.13 108.731 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.668 ' N ' ' HA ' ' A' ' 23' ' ' MET . 3.8 mm? -66.32 111.09 3.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.914 -0.585 . . . . 74.54 112.137 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.445 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 65.6 mtt -18.6 129.24 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.306 1.443 . . . . 54.4 114.765 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.401 ' HA2' ' CD2' ' A' ' 21' ' ' TYR . . . -148.95 -132.64 2.14 Favored Glycine 0 C--N 1.34 0.777 0 CA-C-N 115.445 -0.798 . . . . 70.51 112.688 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.16 26.6 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.525 -0.369 . . . . 74.41 112.763 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -131.35 156.84 44.82 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.518 0.327 . . . . 65.14 111.252 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -127.33 -43.01 1.64 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.21 -0.45 . . . . 72.34 111.676 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.8 5.4 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 121.137 -0.554 . . . . 61.51 113.224 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.46 100.05 2.69 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.183 0.593 . . . . 72.42 109.88 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.7 -17.76 37.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.244 -0.889 . . . . 72.23 112.745 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.4 -11.58 1.97 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 114.393 1.257 . . . . 71.35 114.393 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.61 -2.76 30.76 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.906 0.706 . . . . 75.34 112.906 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -90.64 11.03 23.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 111.878 0.325 . . . . 74.03 111.878 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.8 -34.49 11.87 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.061 0.393 . . . . 75.21 112.061 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.532 HD11 ' H ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -87.68 157.6 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.496 0.554 . . . . 74.41 112.496 -178.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 73' ' ' GLY . 22.8 p -134.67 161.29 35.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.448 -0.797 . . . . 74.35 110.787 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.441 ' CB ' HD22 ' A' ' 56' ' ' ASN . 2.9 tmt_? -122.09 -58.89 1.7 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.611 -0.268 . . . . 73.34 111.376 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.95 148.23 38.99 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.184 0.303 . . . . 71.01 111.07 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -91.91 125.2 36.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.944 -0.571 . . . . 74.35 111.103 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.499 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 4.5 p30 -134.55 161.83 33.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.588 -0.733 . . . . 73.5 110.778 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.8 p -85.58 115.35 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.275 -0.421 . . . . 73.42 111.559 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -135.76 157.05 47.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.621 -0.718 . . . . 74.12 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 N--CA 1.466 0.348 0 CA-C-N 116.05 -0.523 . . . . 74.15 111.017 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 111.8 0.296 . . . . 75.44 111.8 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.5 t -60.65 135.01 57.64 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.603 0.594 . . . . 74.54 112.603 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.477 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -65.99 -36.17 82.57 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.838 -1.074 . . . . 65.22 113.015 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 m -89.38 -52.6 4.96 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.211 0.319 . . . . 73.32 111.773 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.572 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 2.6 p -102.94 155.54 18.29 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.093 0.245 . . . . 73.22 110.534 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.79 53.17 2.33 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.333 0.587 . . . . 63.35 110.878 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -120.93 135.19 55.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.5 -0.773 . . . . 75.41 109.783 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -65.16 135.98 56.13 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.828 -0.624 . . . . 73.24 112.536 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.6 mt -87.37 125.07 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.48 -0.782 . . . . 74.1 109.248 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 77.8 mtp180 -112.15 -174.63 2.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.179 0.436 . . . . 73.25 112.179 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.27 63.88 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.075 0.768 . . . . 73.32 113.075 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -77.78 0.24 24.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 122.965 0.506 . . . . 64.44 110.476 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.633 ' OE2' ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -96.34 109.94 22.36 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.926 0.87 . . . . 64.3 112.453 -178.021 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.7 mtm -106.6 88.39 2.75 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.597 -1.638 . . . . 73.45 107.85 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -104.13 163.92 12.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.57 -1.196 . . . . 74.24 113.047 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.503 ' SD ' ' HA ' ' A' ' 88' ' ' VAL . 13.9 ptm -107.09 172.23 6.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.642 -1.163 . . . . 73.33 109.911 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -89.2 108.64 19.73 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.667 0.27 . . . . 75.34 110.36 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.489 HG11 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.59 175.72 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.96 -0.564 . . . . 71.34 110.013 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' H ' HG11 ' A' ' 27' ' ' VAL . 96.7 mttt -54.16 -67.29 0.27 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.279 0.844 . . . . 71.52 113.279 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.56 -42.34 2.54 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.169 0.433 . . . . 72.31 112.169 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.454 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.7 mttt -118.51 146.17 44.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.043 0.386 . . . . 74.21 112.043 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -101.65 147.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.626 -0.715 . . . . 72.34 109.276 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.477 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 32.1 m-85 -127.0 162.09 26.83 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.302 -178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.633 ' HA ' ' OE2' ' A' ' 22' ' ' GLU . 5.7 m80 -65.13 154.77 36.98 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.879 0.472 . . . . 74.32 111.226 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.87 -44.07 90.9 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.805 -0.443 . . . . 74.42 109.805 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.488 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 41.1 mt-10 -66.17 -33.91 76.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.636 -0.711 . . . . 74.12 111.327 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.4 m -80.99 0.59 34.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.075 -0.511 . . . . 64.13 111.779 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -90.46 57.62 3.72 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.425 0.631 . . . . 74.33 110.409 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HD3' ' CE1' ' A' ' 45' ' ' HIS . 9.7 mtmp? -120.07 164.52 16.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.292 -0.867 . . . . 74.22 111.244 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.5 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.088 0.555 . . . . 74.45 111.86 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.05 -10.93 48.7 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.93 0.715 . . . . 65.45 112.93 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.41 ' HB3' ' CG ' ' A' ' 64' ' ' ASP . . . -110.4 -50.26 2.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.349 0.5 . . . . 62.42 112.349 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.2 p -103.46 -6.56 21.71 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.7 mp0 63.74 14.95 8.63 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.06 0.944 . . . . 74.42 113.19 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 57.5 tttt -65.68 163.25 16.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.47 0.308 . . . . 72.43 111.411 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.49 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 56.8 m-70 -95.19 154.66 17.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.047 -0.524 . . . . 71.44 111.139 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.49 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 19.1 m-85 -112.91 137.82 50.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.736 -0.665 . . . . 74.55 110.967 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 t -120.64 162.44 19.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.309 -0.859 . . . . 65.21 110.848 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.58 141.6 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.086 -0.506 . . . . 74.21 112.17 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.76 6.07 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.669 0.605 . . . . 73.41 113.112 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.7 150.65 20.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.63 0.253 . . . . 71.24 110.9 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -87.51 143.38 27.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.798 -0.637 . . . . 74.23 111.236 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -128.17 156.46 42.86 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.526 0.516 . . . . 65.34 111.343 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 tt -117.32 126.96 53.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.663 -0.699 . . . . 72.44 109.768 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.11 109.23 20.48 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.898 -0.592 . . . . 61.4 110.471 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.588 HG21 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.06 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 115.673 -0.694 . . . . 73.45 110.945 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.411 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.7 m-80 -47.96 -35.82 11.43 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.788 1.033 . . . . 75.13 113.788 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.5 t -106.38 -73.89 0.67 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.846 0.313 . . . . 70.43 111.846 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.588 ' O ' HG21 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.49 -163.37 1.01 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.308 0.243 . . . . 75.52 111.345 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -91.06 140.36 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 122.651 0.38 . . . . 75.25 110.412 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.5 t -120.47 120.63 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 75.51 110.093 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -65.19 159.92 22.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.98 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -64.26 -18.32 64.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.795 -0.638 . . . . 74.23 112.592 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -66.04 -50.71 63.21 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.083 0.401 . . . . 75.13 112.083 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.41 ' CG ' ' HB3' ' A' ' 41' ' ' ALA . 2.1 p30 -110.85 15.18 21.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.864 0.69 . . . . 42.3 112.864 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -56.09 -51.45 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.244 0.618 . . . . 74.41 112.6 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -59.17 -52.71 64.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.117 0.567 . . . . 72.11 112.485 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 71' ' ' ILE . 41.7 mt-10 -62.59 -43.52 98.61 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.584 0.587 . . . . 63.44 112.584 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.444 ' HE1' HG12 ' A' ' 55' ' ' ILE . 55.2 t-105 -65.17 -42.19 93.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.752 0.421 . . . . 73.13 111.835 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 p -67.07 -28.88 68.56 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.096 0.558 . . . . 73.14 111.295 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.85 -43.63 98.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.199 -0.91 . . . . 74.32 112.086 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 67' ' ' GLU . 3.0 mp -84.79 -47.37 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 123.364 0.415 . . . . 74.41 111.596 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -69.67 -29.84 67.38 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.961 0.726 . . . . 74.11 112.961 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.623 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.776 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.564 0.221 . . . . 73.24 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 t -112.45 143.36 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 115.892 -0.594 . . . . 72.11 109.975 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.3 mmt -120.08 148.65 43.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.914 -0.584 . . . . 73.44 110.978 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.87 149.67 5.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.831 -0.622 . . . . 74.41 110.63 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.503 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 4.4 t -65.29 109.99 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.713 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.416 ' H ' ' CE ' ' A' ' 25' ' ' MET . . . -66.25 146.64 49.18 Favored Glycine 0 C--N 1.342 0.912 0 CA-C-N 115.557 -0.747 . . . . 72.13 113.946 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.92 111.6 6.85 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 122.96 0.504 . . . . 73.12 111.776 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -62.79 155.42 59.74 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 122.749 2.299 . . . . 72.51 113.105 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.5 p -120.09 111.29 17.68 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 74.13 111.251 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.15 118.39 9.82 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.78 -0.645 . . . . 74.54 111.806 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 90.7 mtp 40.76 105.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.751 1.22 . . . . 54.4 113.762 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.95 -172.67 29.82 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.671 -0.695 . . . . 70.51 112.926 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -153.08 147.26 16.58 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 112.239 -0.344 . . . . 74.41 112.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -98.17 137.66 36.61 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.64 0.259 . . . . 65.14 110.943 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.71 -42.45 7.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.816 -0.629 . . . . 72.34 111.269 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.57 153.48 24.57 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.414 0.446 . . . . 61.51 112.671 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.6 m-20 -143.21 93.97 2.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.286 0.565 . . . . 72.42 110.062 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -82.11 -18.91 41.29 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.266 -0.879 . . . . 72.23 112.355 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 -22.59 30.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.315 0.487 . . . . 71.35 112.315 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.18 -36.54 17.97 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.004 0.372 . . . . 75.34 112.004 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 16.7 ptm180 -84.09 -9.18 58.81 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.43 0.53 . . . . 74.03 112.43 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.8 tt -93.87 -47.21 6.85 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.196 0.31 . . . . 75.21 110.756 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.61 167.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 125.135 1.374 . . . . 74.41 114.361 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -142.35 123.84 14.88 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.721 -0.672 . . . . 74.35 110.848 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.21 147.08 27.48 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.935 -0.575 . . . . 73.34 110.931 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.56 154.54 18.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.795 -0.639 . . . . 71.01 110.887 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.28 130.45 39.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.01 -0.541 . . . . 74.35 111.086 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.99 152.79 19.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.82 -0.627 . . . . 73.5 111.227 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -97.53 146.17 25.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.928 -0.578 . . . . 73.42 111.145 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -127.37 143.81 51.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.884 -0.598 . . . . 74.12 110.953 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 C--O 1.235 0.326 0 CA-C-N 115.881 -0.6 . . . . 74.15 110.889 179.925 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 111.236 0.088 . . . . 75.44 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.4 t -76.77 135.64 38.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.938 0.399 . . . . 74.54 111.436 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -65.75 -33.66 76.37 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.093 -0.958 . . . . 65.22 113.114 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 m -92.95 -49.66 5.93 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.254 0.347 . . . . 73.32 111.905 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.57 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.6 p -106.98 157.98 17.38 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.095 0.247 . . . . 73.22 110.736 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -91.71 52.29 2.01 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.548 0.689 . . . . 63.35 110.486 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -120.18 131.89 55.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.209 -0.905 . . . . 75.41 109.944 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.16 130.95 45.21 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.775 -0.648 . . . . 73.24 111.954 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.2 mt -79.27 98.56 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.687 -0.688 . . . . 74.1 109.263 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.2 tmt_? -147.78 159.89 43.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.518 -0.765 . . . . 73.25 112.056 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.44 -75.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.985 1.314 . . . . 73.32 114.252 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.482 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.5 t80 -72.92 -58.83 3.04 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.513 0.325 . . . . 64.44 111.221 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 32.61 -87.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.872 1.269 . . . . 64.3 114.291 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.482 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 68.0 mtt 45.55 76.69 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.058 0.943 . . . . 73.45 112.061 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 32' ' ' TYR . 22.2 p -141.95 161.59 37.59 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.211 -0.904 . . . . 74.24 111.855 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.77 168.44 10.32 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 73.33 110.459 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -87.89 119.49 28.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.753 0.311 . . . . 75.34 110.935 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.553 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.2 t -93.38 -179.25 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.728 -0.669 . . . . 71.34 109.783 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' H ' HG11 ' A' ' 27' ' ' VAL . 96.8 mttt -49.63 -67.75 0.24 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.708 1.003 . . . . 71.52 113.708 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.48 -43.16 2.51 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 111.978 0.362 . . . . 72.31 111.978 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.8 mttt -112.37 151.38 29.85 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.235 0.334 . . . . 74.21 111.543 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.8 t -106.13 146.4 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.881 -0.6 . . . . 72.34 109.917 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.545 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 32.1 m-85 -128.53 150.25 50.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.979 -0.555 . . . . 73.03 111.104 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.68 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 13.3 m80 -65.52 159.23 24.98 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.405 0.441 . . . . 74.32 110.349 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.12 -44.82 87.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.6 0.238 . . . . 74.42 110.607 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.49 -33.32 75.42 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.831 -0.622 . . . . 74.12 111.392 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.68 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 28.0 m -82.32 -0.86 47.65 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.787 -0.642 . . . . 64.13 111.943 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -91.0 64.07 5.3 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.48 0.657 . . . . 74.33 110.082 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -120.7 163.63 17.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.195 -0.911 . . . . 74.22 111.862 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 43.0 t -66.13 147.3 53.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.389 0.676 . . . . 74.45 111.954 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.9 -7.01 50.4 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.8 -0.636 . . . . 65.45 112.122 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.3 -50.26 3.19 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.169 0.433 . . . . 62.42 112.169 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.5 p -109.56 -4.47 16.22 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.004 0.372 . . . . 72.25 112.004 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.527 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.93 11.77 7.29 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.075 0.95 . . . . 74.42 113.111 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.55 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.7 tttt -65.83 163.4 16.89 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.617 0.367 . . . . 72.43 111.385 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -97.8 151.44 20.19 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.076 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 10.8 m-85 -102.24 154.14 19.31 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.655 -0.702 . . . . 74.55 110.968 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -120.61 155.68 33.24 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.594 -0.73 . . . . 65.21 111.261 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.77 128.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 115.937 -0.574 . . . . 74.21 112.279 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.92 -16.12 36.59 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 123.548 0.53 . . . . 73.41 113.494 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.55 151.76 19.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.764 0.282 . . . . 71.24 111.316 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.04 136.94 32.74 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.845 -0.616 . . . . 74.23 111.043 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -129.92 158.59 39.12 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.505 0.503 . . . . 65.34 111.415 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.43 126.45 54.99 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.701 -0.681 . . . . 72.44 109.624 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -93.59 110.14 21.74 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.882 -0.599 . . . . 61.4 110.306 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -91.87 175.9 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.696 -0.684 . . . . 73.45 110.898 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' H ' HG13 ' A' ' 55' ' ' ILE . 16.8 m-80 -48.04 -36.32 12.71 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.713 1.005 . . . . 75.13 113.713 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.5 m -105.5 -75.54 0.62 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.187 0.44 . . . . 70.43 112.187 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' HG23 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.43 -167.16 1.41 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.698 0.259 . . . . 75.52 111.698 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -92.68 143.67 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.693 0.397 . . . . 75.25 110.471 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.6 t -120.24 127.8 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.661 0.601 . . . . 75.51 109.852 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 p -65.19 157.32 29.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.938 -0.574 . . . . 72.41 112.293 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.64 ' O ' HG21 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.6 -23.33 58.53 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.908 -0.587 . . . . 74.23 111.997 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -41.8 85.66 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.578 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -109.0 4.16 22.91 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.49 0.552 . . . . 42.3 112.49 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.64 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.56 -51.48 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 113.072 0.767 . . . . 74.41 113.072 -178.286 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.6 t80 -63.75 -51.68 63.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.998 0.519 . . . . 72.11 112.372 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.576 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.15 -39.48 93.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.716 0.636 . . . . 63.44 112.716 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.424 ' CD1' HG21 ' A' ' 60' ' ' VAL . 57.9 t-105 -65.4 -50.31 65.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.39 0.276 . . . . 73.13 111.348 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -64.13 -29.02 70.17 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.083 0.468 . . . . 73.14 110.949 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 52.7 tttt -65.09 -42.52 93.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.892 -1.049 . . . . 74.32 111.942 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.0 mm -84.51 -46.57 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 115.851 -0.613 . . . . 74.41 111.758 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -76.21 -29.97 57.81 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.724 0.638 . . . . 74.11 112.724 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.612 0 C-N-CA 121.373 -0.441 . . . . 72.21 112.558 179.885 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.508 0.194 . . . . 73.24 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -119.3 135.2 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 115.923 -0.58 . . . . 72.11 110.019 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.2 mmt -120.24 153.15 36.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.684 -0.689 . . . . 73.44 110.971 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 p -95.93 147.3 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.742 -0.663 . . . . 74.41 110.647 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.38 110.24 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 116.107 -0.497 . . . . 74.34 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 146.11 48.33 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.642 -0.708 . . . . 72.13 113.488 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.89 141.67 97.73 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-O 119.14 -0.457 . . . . 73.12 111.493 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.83 135.91 16.27 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.387 2.058 . . . . 72.51 112.697 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 95' ' ' GLY . 19.0 p -120.13 119.57 33.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.913 -0.585 . . . . 74.13 111.085 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 93' ' ' LEU . 2.3 pp -65.85 126.34 28.18 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.93 -0.577 . . . . 74.54 112.219 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 65.7 mtt 40.98 36.0 0.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.614 1.166 . . . . 54.4 113.558 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.464 ' O ' ' HB ' ' A' ' 92' ' ' THR . . . 97.79 -85.42 0.76 Allowed Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.021 -0.536 . . . . 70.51 112.584 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.06 -109.25 3.53 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.446 -0.407 . . . . 74.41 112.572 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.414 ' HB3' ' OD1' ' A' ' 100' ' ' ASP . 44.7 mt-10 -102.0 138.85 38.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.313 0.245 . . . . 65.14 110.773 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.13 -43.09 1.33 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.972 -0.558 . . . . 72.34 111.334 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.7 63.5 0.67 Allowed Glycine 0 C--N 1.34 0.779 0 O-C-N 123.387 0.43 . . . . 61.51 112.588 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 7.5 m-20 -130.86 11.48 5.16 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.744 0.307 . . . . 72.42 111.495 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.11 -28.51 21.24 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.13 -0.486 . . . . 72.23 111.979 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.61 -15.87 44.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.124 0.416 . . . . 71.35 112.124 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.9 -36.98 18.09 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.292 0.37 . . . . 75.34 111.718 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.4 ptm180 -87.8 -0.79 57.41 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.093 0.405 . . . . 74.03 112.093 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -92.27 -40.15 11.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.473 -0.331 . . . . 75.21 111.236 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 106' ' ' ILE . 2.2 pp -96.64 135.09 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.35 -0.386 . . . . 74.41 111.43 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -139.43 148.76 43.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.88 -0.6 . . . . 74.35 111.14 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -101.79 133.2 46.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.9 -0.591 . . . . 73.34 110.86 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -129.0 148.02 50.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.854 -0.612 . . . . 71.01 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.78 145.45 28.5 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.856 -0.611 . . . . 74.35 110.861 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -110.47 -42.59 4.06 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.621 0.576 . . . . 73.5 111.279 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 p -99.29 137.5 37.7 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.364 0.415 . . . . 73.42 111.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -128.29 142.21 51.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.859 -0.61 . . . . 74.12 110.802 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.465 0.318 0 CA-C-N 115.861 -0.609 . . . . 74.15 111.358 -179.91 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 110.269 -0.271 . . . . 75.44 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 41.9 t -77.68 136.14 38.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.176 0.512 . . . . 74.54 112.064 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -66.07 -37.02 84.76 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.795 -1.093 . . . . 65.22 112.934 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 p -89.01 -52.18 5.21 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.316 0.385 . . . . 73.32 111.951 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.8 p -105.7 158.57 16.62 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.25 0.344 . . . . 73.22 110.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.7 49.52 1.68 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.396 0.617 . . . . 63.35 110.683 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -120.63 131.9 54.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.287 -0.87 . . . . 75.41 110.053 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -65.78 136.36 56.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.834 -0.621 . . . . 73.24 112.247 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.413 ' HA ' ' HE2' ' A' ' 33' ' ' HIS . 14.3 mt -72.42 142.36 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.686 -0.688 . . . . 74.1 109.87 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -128.37 -178.01 4.39 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.902 0.334 . . . . 73.25 111.902 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.55 ' N ' ' HE2' ' A' ' 94' ' ' MET . . . -67.79 -26.29 66.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.183 0.593 . . . . 73.32 112.477 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -74.58 -30.94 61.9 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.416 0.447 . . . . 64.44 110.712 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.733 ' O ' HD21 ' A' ' 34' ' ' LEU . 4.5 mm-40 -72.59 -45.76 57.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.756 -0.656 . . . . 64.3 112.555 -177.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.509 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 64.7 mtt 46.43 88.04 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.351 0.596 . . . . 73.45 110.659 -179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.5 p -104.34 157.43 17.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 74.24 111.876 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.508 ' SD ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -104.51 167.9 9.43 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.511 -0.768 . . . . 73.33 110.849 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -82.44 115.57 21.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.866 0.365 . . . . 75.34 111.195 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.53 HG11 ' H ' ' A' ' 28' ' ' LYS . 2.0 t -99.51 -179.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 115.511 -0.768 . . . . 71.34 109.767 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' H ' HG11 ' A' ' 27' ' ' VAL . 96.8 mttt -49.86 -66.45 0.39 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.616 0.969 . . . . 71.52 113.616 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.3 -46.19 2.41 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.922 0.342 . . . . 72.31 111.922 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.514 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 35.5 mtmt -118.02 153.3 33.92 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.378 0.424 . . . . 74.21 111.467 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.92 146.44 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.938 -0.573 . . . . 72.34 110.008 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 27.5 m-85 -124.49 145.63 49.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.02 -0.536 . . . . 73.03 111.534 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 10.6 m80 -65.78 159.21 25.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.028 0.531 . . . . 74.32 110.911 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.733 HD21 ' O ' ' A' ' 22' ' ' GLU . 3.5 pp -65.07 -47.65 76.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.45 0.167 . . . . 74.42 110.635 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.82 -28.96 69.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.995 -0.548 . . . . 74.12 111.686 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 15.5 m -89.12 -6.28 57.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.03 -0.532 . . . . 64.13 111.814 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -89.6 55.63 3.28 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.464 0.649 . . . . 74.33 110.248 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.97 161.89 20.83 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.277 -0.874 . . . . 74.22 111.701 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 32.5 t -66.12 147.03 53.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.712 -0.677 . . . . 74.45 111.815 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.77 -6.87 35.2 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.049 -0.523 . . . . 65.45 111.933 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.428 ' HB1' ' OD2' ' A' ' 64' ' ' ASP . . . -101.12 -47.68 4.66 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 111.89 0.33 . . . . 62.42 111.89 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.4 p -113.28 -3.33 13.85 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.867 0.321 . . . . 72.25 111.867 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 65.18 12.43 8.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.101 0.961 . . . . 74.42 113.102 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.5 tttm -65.96 163.08 17.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.633 0.373 . . . . 72.43 111.409 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -102.05 152.96 20.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.469 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 21.2 m-85 -105.95 141.55 37.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.718 -0.674 . . . . 74.55 111.191 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 p -120.65 161.42 21.41 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.344 -0.844 . . . . 65.21 111.115 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.61 136.04 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 112.295 0.48 . . . . 74.21 112.295 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -27.05 15.43 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.908 -0.587 . . . . 73.41 113.326 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.89 149.54 21.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.627 0.251 . . . . 71.24 111.283 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -83.04 138.7 33.63 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.78 -0.645 . . . . 74.23 111.282 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -128.94 154.06 46.93 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.545 0.528 . . . . 65.34 111.42 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 128.68 56.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.709 -0.678 . . . . 72.44 109.7 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.73 112.25 24.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.894 -0.594 . . . . 61.4 110.459 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.6 HG21 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -90.99 176.18 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.704 -0.68 . . . . 73.45 110.81 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -47.91 -34.16 8.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.953 1.094 . . . . 75.13 113.953 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.5 t -120.01 -58.76 1.85 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.826 0.676 . . . . 70.43 112.826 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.6 ' O ' HG21 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.21 -163.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.197 0.443 . . . . 75.52 112.197 -178.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.576 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -106.73 140.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 122.813 0.445 . . . . 75.25 110.144 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 68' ' ' TRP . 12.0 t -120.6 127.41 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.901 -0.591 . . . . 75.51 110.181 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 p -65.26 159.3 24.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.883 -0.598 . . . . 72.41 112.162 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.649 ' O ' HG21 ' A' ' 65' ' ' ILE . 43.3 mt-10 -62.09 -21.21 64.79 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.011 -0.54 . . . . 74.23 111.8 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -67.16 -40.96 86.74 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.282 -0.417 . . . . 75.13 111.599 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.428 ' OD2' ' HB1' ' A' ' 41' ' ' ALA . 8.3 m-20 -110.38 6.18 22.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.709 0.633 . . . . 42.3 112.709 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.54 -54.35 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.254 0.835 . . . . 74.41 113.254 -178.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 52.7 t80 -58.57 -53.74 54.98 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.683 0.623 . . . . 72.11 112.683 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.577 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.2 mt-10 -65.07 -39.79 93.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.927 0.714 . . . . 63.44 112.927 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.487 ' CD1' HG22 ' A' ' 60' ' ' VAL . 55.4 t-105 -65.55 -54.52 26.79 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.63 0.372 . . . . 73.13 111.784 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.5 p -61.52 -29.57 70.08 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.091 0.472 . . . . 73.14 111.529 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 34.4 tttp -65.52 -38.7 90.44 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.186 -0.915 . . . . 74.32 112.633 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 67' ' ' GLU . 15.0 mm -84.51 -47.66 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.05 0.759 . . . . 74.41 113.05 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -94.85 -29.99 14.43 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.325 0.861 . . . . 74.11 113.325 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.662 0 C-N-CA 121.065 -0.588 . . . . 72.21 112.84 -179.659 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.513 0.197 . . . . 73.24 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.05 131.98 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.981 -0.554 . . . . 72.11 110.13 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -120.2 157.51 28.92 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.654 -0.703 . . . . 73.44 111.184 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.14 152.1 3.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.83 -0.623 . . . . 74.41 110.386 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.19 110.06 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 120.955 0.407 . . . . 74.34 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' A' ' 25' ' ' MET . . . -66.39 154.19 51.94 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.406 -0.815 . . . . 72.13 113.916 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.3 138.79 96.04 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 118.947 -0.549 . . . . 73.12 110.914 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HB3' ' O ' ' A' ' 23' ' ' MET . 3.8 Cg_exo -77.19 149.29 28.07 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.257 1.971 . . . . 72.51 112.809 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 t -120.36 128.25 53.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.359 0.599 . . . . 74.13 111.508 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.1 109.84 2.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.424 -1.262 . . . . 74.54 111.587 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.55 ' HE2' ' N ' ' A' ' 20' ' ' ALA . 16.2 mmt 40.79 105.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.668 1.187 . . . . 54.4 113.848 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.06 -162.64 13.08 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.593 -0.731 . . . . 70.51 112.791 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.73 -129.78 6.8 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 121.49 -0.386 . . . . 74.41 112.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' HG2' ' OE2' ' A' ' 101' ' ' GLU . 41.2 mt-10 -97.92 140.15 32.7 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 122.283 0.233 . . . . 65.14 111.058 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -98.42 -41.75 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.869 -0.605 . . . . 72.34 111.16 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.2 -121.25 4.27 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 123.491 0.494 . . . . 61.51 112.468 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.48 ' OD1' ' HB2' ' A' ' 103' ' ' GLU . 3.1 t70 -147.55 97.06 2.78 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.247 0.546 . . . . 72.42 110.074 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.4 mp0 -82.75 -18.94 38.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.287 -0.869 . . . . 72.23 112.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.46 -19.62 33.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.099 0.407 . . . . 71.35 112.099 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.48 ' HB2' ' OD1' ' A' ' 100' ' ' ASP . 2.9 tp10 -87.23 -39.61 15.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.5 -0.318 . . . . 75.34 111.44 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 37.6 ptt180 -87.36 8.1 25.96 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.441 0.463 . . . . 74.03 112.141 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.8 tp -92.66 -42.47 9.61 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.32 -0.4 . . . . 75.21 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.87 173.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 125.001 1.32 . . . . 74.41 114.057 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.7 p -111.96 147.86 34.99 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.934 -0.576 . . . . 74.35 111.107 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -104.92 148.63 26.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.908 -0.587 . . . . 73.34 110.671 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.08 146.57 26.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.843 -0.617 . . . . 71.01 110.94 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 149.86 33.14 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.876 -0.602 . . . . 74.35 110.929 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -99.21 144.92 27.78 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.863 -0.608 . . . . 73.5 110.823 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -111.66 147.01 36.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.863 -0.608 . . . . 73.42 111.1 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.79 144.84 44.98 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 74.12 110.517 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 . . . . . 0 C--O 1.234 0.286 0 CA-C-N 115.951 -0.568 . . . . 74.15 110.991 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.553 0.216 . . . . 75.44 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.2 t -84.95 144.63 28.21 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.002 -0.545 . . . . 74.54 111.029 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -65.78 -37.37 86.13 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.433 0.901 . . . . 65.22 113.433 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -95.67 -53.75 3.61 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.032 0.382 . . . . 73.32 112.032 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 5.2 p -101.06 162.86 12.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.57 0.224 . . . . 73.22 111.205 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.13 49.03 1.37 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.356 0.598 . . . . 63.35 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.631 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 57.3 mttm -113.25 133.63 55.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.486 -0.779 . . . . 75.41 111.11 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -65.64 136.64 56.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.948 -0.569 . . . . 73.24 111.064 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt -84.92 115.62 27.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.101 -0.5 . . . . 74.1 110.726 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 15.5 ttm180 -100.89 -174.48 2.63 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.227 -0.897 . . . . 73.25 110.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.439 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . -69.86 -5.87 28.71 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.949 0.722 . . . . 73.32 112.949 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -87.76 -13.87 41.2 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.996 0.518 . . . . 64.44 111.387 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -43.65 -48.72 7.79 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.446 1.276 . . . . 64.3 114.446 -178.22 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.58 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 65.2 mtt 42.45 47.16 4.29 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.878 0.846 . . . . 73.45 110.663 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 22' ' ' GLU . 41.0 p -104.72 169.75 8.27 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.603 -1.18 . . . . 74.24 112.237 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -111.48 150.86 29.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.346 -0.843 . . . . 73.33 109.689 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 115.26 14.65 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.339 -0.391 . . . . 75.34 111.408 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.546 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.4 t -88.76 -179.16 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 115.59 -0.732 . . . . 71.34 109.916 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.508 ' H ' HG13 ' A' ' 27' ' ' VAL . 96.7 mttt -48.07 -67.06 0.31 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.789 1.033 . . . . 71.52 113.789 -178.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.37 -42.69 2.54 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.355 0.502 . . . . 72.31 112.355 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.7 mttt -109.99 150.89 27.85 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.24 0.337 . . . . 74.21 111.55 -178.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 t -104.84 137.6 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.768 -0.651 . . . . 72.34 109.632 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.437 ' CD2' ' HB1' ' A' ' 12' ' ' ALA . 28.4 m-85 -118.89 151.79 37.47 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.939 -0.573 . . . . 73.03 111.323 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m80 -65.37 163.76 15.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.089 0.555 . . . . 74.32 110.964 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 22' ' ' GLU . 3.2 pp -65.26 -47.44 76.7 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 110.089 -0.337 . . . . 74.42 110.089 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.67 -33.95 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.509 -0.769 . . . . 74.12 111.641 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.642 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 34.4 m -80.21 -0.4 36.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.744 -0.662 . . . . 64.13 112.252 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -92.25 55.58 2.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.613 0.721 . . . . 74.33 109.394 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -120.76 165.69 14.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.191 -0.913 . . . . 74.22 112.062 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.1 t -66.12 147.32 53.51 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.481 0.712 . . . . 74.45 112.069 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.77 -8.62 43.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.825 -0.625 . . . . 65.45 112.212 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.13 -50.66 3.31 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 62.42 112.11 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.2 p -107.43 -4.76 18.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.938 0.348 . . . . 72.25 111.938 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.527 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.6 mp0 64.61 12.07 7.21 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.012 0.925 . . . . 74.42 113.1 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.9 tttt -65.87 162.44 19.0 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.604 0.362 . . . . 72.43 111.236 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -99.83 148.71 24.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.109 -0.496 . . . . 71.44 111.186 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.496 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 10.8 m-85 -99.89 152.97 19.54 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.558 -0.746 . . . . 74.55 110.739 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -120.43 156.67 30.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.705 -0.679 . . . . 65.21 111.352 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.62 122.57 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 115.924 -0.58 . . . . 74.21 112.08 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.93 6.49 32.29 Favored Glycine 0 C--N 1.337 0.59 0 O-C-N 123.603 0.564 . . . . 73.41 113.43 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.9 153.22 28.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.76 0.28 . . . . 71.24 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -85.31 128.73 34.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.841 -0.618 . . . . 74.23 111.208 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -126.33 155.64 41.7 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.458 0.474 . . . . 65.34 111.419 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.39 128.73 56.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.693 -0.685 . . . . 72.44 109.899 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.83 106.91 18.86 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.965 -0.561 . . . . 61.4 110.213 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.31 175.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.648 -0.705 . . . . 73.45 110.94 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.409 ' H ' HG13 ' A' ' 55' ' ' ILE . 16.5 m-80 -48.0 -35.79 11.57 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.819 1.044 . . . . 75.13 113.819 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.635 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 52.7 p -108.44 -72.94 0.7 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.39 0.515 . . . . 70.43 112.39 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.635 ' H ' ' HG ' ' A' ' 57' ' ' SER . 6.0 m-20 -120.42 -164.68 1.12 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 111.638 0.236 . . . . 75.52 111.638 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -94.24 140.35 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 122.73 0.412 . . . . 75.25 110.398 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.6 t -120.49 127.17 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.88 -0.6 . . . . 75.51 109.961 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.21 158.75 25.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.14 0.576 . . . . 72.41 112.27 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 65' ' ' ILE . 10.8 tt0 -61.92 -21.55 64.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.9 -0.591 . . . . 74.23 111.654 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.02 -40.55 87.28 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.619 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.32 5.86 21.96 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.654 0.613 . . . . 42.3 112.654 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.644 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -56.37 -54.37 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.034 0.753 . . . . 74.41 113.034 -178.541 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.64 -52.31 66.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.078 0.551 . . . . 72.11 112.476 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.57 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -64.81 -44.21 90.61 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.607 0.595 . . . . 63.44 112.607 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.444 ' HE1' HG12 ' A' ' 55' ' ' ILE . 49.6 t-105 -65.18 -42.64 93.43 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.14 0.422 . . . . 73.13 112.14 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.0 p -67.07 -29.04 68.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.978 0.418 . . . . 73.14 111.228 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -58.56 -46.04 87.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.139 -0.937 . . . . 74.32 111.603 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.2 mp -85.07 -47.33 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.492 0.495 . . . . 74.41 111.182 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -77.77 5.28 9.78 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.703 -0.681 . . . . 74.11 112.821 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.749 0 C-N-CA 121.437 -0.411 . . . . 72.21 112.398 179.814 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.481 0.181 . . . . 73.24 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.3 p -100.16 130.13 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.923 -0.58 . . . . 72.11 110.81 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.4 mtt -120.4 157.63 28.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.612 -0.722 . . . . 73.44 111.035 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.55 142.61 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.981 -0.554 . . . . 74.41 110.287 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.69 109.14 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.332 0.395 . . . . 74.34 110.953 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.56 164.74 45.02 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.601 -0.727 . . . . 72.13 113.426 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.3 157.85 80.04 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 119.118 -0.468 . . . . 73.12 111.799 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.58 ' HB3' ' O ' ' A' ' 23' ' ' MET . 5.3 Cg_exo -79.62 135.37 11.57 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.459 2.106 . . . . 72.51 112.569 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -120.32 111.41 17.74 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.519 0.512 . . . . 74.13 111.446 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.08 126.45 28.66 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.743 -0.662 . . . . 74.54 111.618 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 mmt 40.91 -82.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.752 1.221 . . . . 54.4 113.687 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.54 87.53 0.13 Allowed Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.586 -0.34 . . . . 70.51 112.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.81 139.64 8.36 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.48 -0.39 . . . . 74.41 112.472 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.9 115.75 31.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.877 0.37 . . . . 65.14 110.952 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.527 ' HB3' ' OE1' ' A' ' 101' ' ' GLU . 95.4 m-85 -131.09 86.13 2.34 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.576 -0.738 . . . . 72.34 110.305 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.01 48.46 0.94 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.196 -0.911 . . . . 61.51 112.884 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.68 4.14 3.88 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.919 0.39 . . . . 72.42 111.509 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.527 ' OE1' ' HB3' ' A' ' 98' ' ' PHE . 1.7 mp0 -88.3 -29.22 20.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.743 -0.662 . . . . 72.23 111.866 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.5 -13.98 50.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.361 0.504 . . . . 71.35 112.361 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -82.65 -36.8 25.7 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.556 0.342 . . . . 75.34 111.909 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -93.52 -9.75 37.26 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.317 0.385 . . . . 74.03 111.968 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.447 HD21 ' O ' ' A' ' 105' ' ' LEU . 2.2 tt -93.93 -15.27 25.12 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.185 0.303 . . . . 75.21 111.713 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pp -85.45 113.64 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 111.882 0.327 . . . . 74.41 111.882 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -144.82 151.67 39.13 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.631 -0.713 . . . . 74.35 110.838 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -109.19 114.66 28.57 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.087 -0.506 . . . . 73.34 110.764 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.17 149.61 48.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.689 -0.687 . . . . 71.01 110.798 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.56 125.49 51.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.939 -0.573 . . . . 74.35 110.686 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.52 128.97 40.42 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.895 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -120.15 146.49 45.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.824 -0.625 . . . . 73.42 111.038 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -126.13 124.41 40.48 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.618 0.574 . . . . 74.12 110.86 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.466 0.335 0 CA-C-N 115.837 -0.619 . . . . 74.15 110.639 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.811 0.3 . . . . 75.44 111.811 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.0 t -63.19 133.7 54.74 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.793 0.664 . . . . 74.54 112.793 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.565 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -66.12 -33.53 75.98 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.747 -1.115 . . . . 65.22 112.6 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -90.37 -53.31 4.5 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.391 0.432 . . . . 73.32 111.618 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.1 p -102.66 153.7 19.86 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 123.155 0.285 . . . . 73.22 110.54 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -91.27 55.79 2.93 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.339 0.59 . . . . 63.35 110.953 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -120.81 136.99 54.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 75.41 110.308 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.49 122.89 18.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.044 -0.525 . . . . 73.24 111.609 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.529 HG12 ' NE2' ' A' ' 33' ' ' HIS . 65.0 mt -79.28 120.36 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 116.088 -0.505 . . . . 74.1 109.934 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -121.38 -174.26 2.81 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.576 -0.738 . . . . 73.25 111.168 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.44 -8.09 0.31 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.765 1.024 . . . . 73.32 113.765 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.436 ' HE2' ' OE1' ' A' ' 103' ' ' GLU . 58.0 t80 -75.66 -10.34 59.36 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.27 0.628 . . . . 64.44 111.35 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.39 156.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.91 0.862 . . . . 64.3 111.717 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.9 mtt -155.91 57.11 0.6 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.191 -1.822 . . . . 73.45 107.332 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' TYR . 48.8 p -113.02 171.56 7.47 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.023 -1.444 . . . . 74.24 112.106 -176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.36 164.8 11.73 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.551 -0.749 . . . . 73.33 110.164 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -87.69 120.82 29.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.85 0.357 . . . . 75.34 111.331 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.2 t -93.31 -178.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.343 -0.844 . . . . 71.34 109.677 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.507 ' H ' HG11 ' A' ' 27' ' ' VAL . 96.4 mttt -47.09 -66.91 0.33 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.83 1.048 . . . . 71.52 113.83 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.5 -44.95 2.44 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.26 0.467 . . . . 72.31 112.26 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -108.4 153.06 23.83 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 74.21 111.79 -178.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 149.69 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.684 -0.689 . . . . 72.34 109.75 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 45.8 m-85 -129.51 148.44 51.41 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.04 -0.527 . . . . 73.03 111.078 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.648 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 12.2 m80 -65.56 160.46 22.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.876 0.47 . . . . 74.32 111.33 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' H ' HD22 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -65.58 -46.75 78.2 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.221 0.326 . . . . 74.42 110.297 178.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.53 -32.14 73.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.529 -0.759 . . . . 74.12 111.558 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.648 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -84.91 -1.02 56.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 64.13 112.052 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -90.74 60.16 4.4 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.521 0.676 . . . . 74.33 110.304 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -120.46 163.24 18.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.234 -0.894 . . . . 74.22 111.637 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 27.4 t -66.13 147.5 53.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.044 -0.526 . . . . 74.45 112.056 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.6 -6.7 56.02 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 65.45 111.102 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.08 -41.14 3.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.787 -0.642 . . . . 62.42 111.64 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.4 m -105.43 -20.12 13.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.397 -0.365 . . . . 72.25 111.951 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.537 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.6 mp0 69.72 1.29 3.34 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.072 0.949 . . . . 74.42 111.974 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -66.36 164.95 15.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.304 0.642 . . . . 72.43 111.395 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -93.29 151.85 19.54 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.37 0.419 . . . . 71.44 111.039 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -98.33 151.11 20.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.663 -0.698 . . . . 74.55 111.112 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 t -120.54 156.25 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.397 -0.82 . . . . 65.21 110.961 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.73 136.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.965 -0.561 . . . . 74.21 111.639 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.91 -27.62 14.18 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.967 -0.56 . . . . 73.41 113.291 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.21 149.88 21.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.381 0.272 . . . . 71.24 111.289 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -85.02 141.21 30.46 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.941 -0.572 . . . . 74.23 111.226 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -128.5 156.16 43.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.046 -0.524 . . . . 65.34 111.421 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.49 ' O ' HG22 ' A' ' 59' ' ' ILE . 3.2 tp -113.87 131.02 56.42 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.705 -0.68 . . . . 72.44 109.7 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -94.92 107.0 19.02 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.936 -0.575 . . . . 61.4 110.182 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.81 175.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-N 115.734 -0.666 . . . . 73.45 110.962 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -48.03 -34.74 9.89 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.924 1.083 . . . . 75.13 113.924 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.3 m -120.18 -56.76 1.98 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.955 0.724 . . . . 70.43 112.955 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.595 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.27 -164.93 1.13 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.1 0.407 . . . . 75.52 112.1 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 53' ' ' LEU . 2.5 mp -109.02 142.93 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 122.905 0.482 . . . . 75.25 109.864 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.499 HG21 ' CD1' ' A' ' 68' ' ' TRP . 3.7 t -120.13 127.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.538 0.524 . . . . 75.51 110.099 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.46 158.93 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.984 -0.553 . . . . 72.41 112.201 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.575 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -58.73 -18.1 28.64 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.268 0.84 . . . . 74.23 113.268 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -65.66 -51.8 56.61 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.239 0.459 . . . . 75.13 112.239 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.73 15.12 22.12 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.089 0.403 . . . . 42.3 112.089 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.5 -47.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.055 0.542 . . . . 74.41 112.412 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.13 -50.93 64.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 122.959 0.504 . . . . 72.11 111.907 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.564 ' O ' HD11 ' A' ' 71' ' ' ILE . 8.8 mm-40 -65.04 -43.44 92.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.499 ' CD1' HG21 ' A' ' 60' ' ' VAL . 48.0 t-105 -63.63 -42.41 98.16 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.667 0.387 . . . . 73.13 111.846 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -67.16 -29.2 68.83 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.886 0.474 . . . . 73.14 111.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -59.04 -45.79 89.86 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.175 -0.92 . . . . 74.32 111.737 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.564 HD11 ' O ' ' A' ' 67' ' ' GLU . 3.3 mp -85.04 -47.33 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.046 -0.524 . . . . 74.41 111.214 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -78.22 5.19 10.81 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.857 0.688 . . . . 74.11 112.857 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.658 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.616 179.896 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.236 0.388 0 CA-C-O 120.56 0.219 . . . . 73.24 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.51 143.4 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 115.929 -0.578 . . . . 72.11 109.95 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.05 149.18 42.6 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.662 0.601 . . . . 73.44 111.103 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.39 152.12 3.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.72 -0.673 . . . . 74.41 110.696 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.33 110.42 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.461 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 153.53 51.65 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 115.621 -0.718 . . . . 72.13 113.864 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.93 113.26 11.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 122.92 0.488 . . . . 73.12 111.557 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.03 157.85 46.76 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.511 2.141 . . . . 72.51 113.035 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.4 p -107.4 115.04 29.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.988 -0.551 . . . . 74.13 111.062 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.94 150.63 48.32 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.755 -0.657 . . . . 74.54 111.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -65.86 -44.16 86.23 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.941 -0.572 . . . . 54.4 111.797 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.0 100.42 2.11 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.421 0.451 . . . . 70.51 112.61 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.68 -80.78 0.17 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.389 -0.434 . . . . 74.41 112.597 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.33 147.7 25.5 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.327 0.251 . . . . 65.14 110.96 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -99.93 -43.23 6.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.883 -0.599 . . . . 72.34 111.188 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.82 -174.09 29.29 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.459 0.475 . . . . 61.51 112.652 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.36 86.64 2.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.317 0.579 . . . . 72.42 110.689 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.27 -30.89 19.32 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.327 -0.852 . . . . 72.23 112.071 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.45 -16.54 42.2 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.383 0.512 . . . . 71.35 112.383 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.436 ' OE1' ' HE2' ' A' ' 21' ' ' TYR . 3.0 tp10 -84.84 -2.84 58.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.22 0.325 . . . . 75.34 111.768 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -88.42 -15.11 36.31 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.457 -0.338 . . . . 74.03 111.739 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.6 tt -93.93 -32.82 13.73 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 123.302 0.376 . . . . 75.21 111.052 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.9 pp 44.62 107.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 124.935 1.294 . . . . 74.41 113.991 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -109.29 153.29 24.08 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.556 -0.747 . . . . 74.35 110.938 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.38 -48.09 5.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.498 0.499 . . . . 73.34 111.546 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp 63.33 148.75 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.958 0.903 . . . . 71.01 112.154 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.28 113.53 26.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.835 -0.621 . . . . 74.35 110.78 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 150.99 48.1 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.788 -0.642 . . . . 73.5 110.644 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -101.47 137.76 39.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.817 -0.628 . . . . 73.42 110.952 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -128.91 132.97 47.73 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.972 -0.558 . . . . 74.12 110.993 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.465 0.317 0 CA-C-N 115.765 -0.652 . . . . 74.15 110.795 179.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 111.929 0.344 . . . . 75.44 111.929 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 35.5 t -78.23 116.43 18.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.004 -0.544 . . . . 74.54 111.961 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.24 63.91 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.055 1.131 . . . . 65.22 114.055 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.2 p -94.41 -53.9 3.74 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.929 0.715 . . . . 73.32 112.929 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 p -95.9 -1.88 48.4 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.366 0.506 . . . . 73.22 112.366 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.78 35.38 26.15 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.644 0.778 . . . . 63.35 112.021 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -117.44 152.27 35.37 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.913 -0.585 . . . . 75.41 110.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -65.3 130.77 44.54 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.706 -0.679 . . . . 73.24 112.278 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.516 ' HA ' ' NE2' ' A' ' 33' ' ' HIS . 16.8 mt -80.11 126.59 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.486 -0.779 . . . . 74.1 110.151 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -110.49 -177.39 3.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.79 -0.641 . . . . 73.25 111.868 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.55 66.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.701 0.63 . . . . 73.32 112.701 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.86 -32.22 73.61 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.893 0.477 . . . . 64.44 111.435 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.582 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.9 mm-40 -70.72 -18.59 62.79 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.297 0.851 . . . . 64.3 113.297 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.7 mtm 36.62 97.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.743 0.817 . . . . 73.45 111.853 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 32' ' ' TYR . 17.7 p -103.69 150.11 24.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 74.24 112.271 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -100.58 158.92 15.57 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.689 -1.142 . . . . 73.33 110.141 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.74 108.44 16.79 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.044 0.449 . . . . 75.34 110.201 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.9 t -100.27 171.34 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.343 -0.844 . . . . 71.34 109.692 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' H ' HG13 ' A' ' 27' ' ' VAL . 89.3 mttt -53.85 -62.72 1.47 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.588 0.958 . . . . 71.52 113.588 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.48 -42.77 2.53 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.941 0.719 . . . . 72.31 112.941 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 69.9 mttt -115.41 139.14 50.28 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.41 0.522 . . . . 74.21 112.41 -177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 t -100.85 147.15 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.833 -0.803 . . . . 72.34 108.833 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 24' ' ' THR . 30.7 m-85 -134.32 151.49 51.27 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.478 0.548 . . . . 73.03 112.478 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.703 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 29.0 m80 -65.69 162.56 18.26 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.485 -0.779 . . . . 74.32 111.286 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 22' ' ' GLU . 4.1 pp -65.91 -47.46 74.67 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 117.65 0.204 . . . . 74.42 110.776 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' HD12 ' A' ' 34' ' ' LEU . 43.6 mt-10 -65.52 -23.33 66.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.097 -0.501 . . . . 74.12 111.645 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.703 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.1 m -91.3 -5.2 55.01 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.974 -0.557 . . . . 64.13 111.399 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -105.42 55.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.406 0.622 . . . . 74.33 110.072 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -120.82 159.18 25.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.41 -0.814 . . . . 74.22 111.733 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 48.6 t -66.13 147.26 53.61 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.871 -0.604 . . . . 74.45 112.037 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.02 -7.64 42.15 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.812 -0.631 . . . . 65.45 112.119 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB1' ' OD2' ' A' ' 64' ' ' ASP . . . -104.5 -50.63 3.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.092 0.404 . . . . 62.42 112.092 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.8 p -109.35 -4.25 16.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.92 10.39 6.15 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.133 0.973 . . . . 74.42 113.097 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.7 tttt -65.9 162.47 19.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.685 0.394 . . . . 72.43 111.392 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.82 152.89 18.25 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.998 -0.546 . . . . 71.44 110.954 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.443 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 14.9 m-85 -100.56 145.45 28.32 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 74.55 111.196 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.8 m -120.79 162.3 20.01 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.09 -0.959 . . . . 65.21 111.384 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.74 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.096 0.559 . . . . 74.21 112.355 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.02 -31.92 8.08 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.989 -0.55 . . . . 73.41 113.407 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.68 150.36 20.73 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.661 0.267 . . . . 71.24 111.349 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.55 144.42 26.34 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.76 -0.654 . . . . 74.23 111.058 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.13 154.71 41.03 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.505 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.492 ' O ' HG22 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -111.73 130.0 55.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.625 -0.716 . . . . 72.44 109.777 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -95.01 111.5 23.3 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.96 -0.563 . . . . 61.4 110.36 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.88 176.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.767 -0.651 . . . . 73.45 110.804 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -47.78 -34.62 8.76 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.851 1.056 . . . . 75.13 113.851 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.9 p -120.12 -56.9 1.98 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.851 0.685 . . . . 70.43 112.851 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.8 m-20 -120.3 -163.5 1.01 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.102 0.408 . . . . 75.52 112.102 -178.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -110.27 143.27 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 122.823 0.449 . . . . 75.25 109.941 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.505 HG22 ' CD1' ' A' ' 68' ' ' TRP . 7.8 t -120.35 130.13 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.103 -0.499 . . . . 75.51 110.162 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.0 p -65.47 158.02 27.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.98 -0.554 . . . . 72.41 112.338 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.651 ' O ' HG23 ' A' ' 65' ' ' ILE . 43.2 mt-10 -60.04 -22.74 63.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.058 0.543 . . . . 74.23 111.802 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.08 -40.37 86.96 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.166 -0.47 . . . . 75.13 111.559 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.419 ' OD2' ' HB1' ' A' ' 41' ' ' ALA . 13.4 m-20 -110.04 4.83 21.67 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.643 0.609 . . . . 42.3 112.643 -178.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.54 -54.0 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 113.191 0.811 . . . . 74.41 113.191 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.8 t80 -59.77 -53.06 62.36 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.607 0.595 . . . . 72.11 112.607 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.583 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.3 mt-10 -65.23 -40.62 94.3 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.758 0.651 . . . . 63.44 112.758 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.505 ' CD1' HG22 ' A' ' 60' ' ' VAL . 54.0 t-105 -65.45 -50.56 64.93 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.448 0.299 . . . . 73.13 111.615 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.7 p -63.56 -29.15 70.45 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.112 0.482 . . . . 73.14 111.072 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.4 tttt -65.12 -43.05 93.22 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.991 -1.004 . . . . 74.32 111.776 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.0 mm -84.74 -47.06 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.822 -0.627 . . . . 74.41 111.879 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -77.31 -30.01 53.93 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.768 0.655 . . . . 74.11 112.768 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.577 0 C-N-CA 121.325 -0.464 . . . . 72.21 112.758 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.235 0.323 0 N-CA-C 110.515 -0.18 . . . . 73.24 110.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.37 148.6 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.887 -0.597 . . . . 72.11 110.022 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.09 143.08 48.33 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.677 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.6 t -99.69 136.86 29.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 123.49 0.494 . . . . 74.41 110.432 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.65 109.93 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 116.321 -0.4 . . . . 74.34 111.024 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.59 162.57 44.56 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 115.736 -0.665 . . . . 72.13 113.789 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.0 129.8 93.97 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.955 0.502 . . . . 73.12 112.063 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.47 141.55 31.72 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.354 2.036 . . . . 72.51 112.621 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 p -120.44 111.66 17.99 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.381 0.426 . . . . 74.13 111.447 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.08 116.51 7.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.959 -0.564 . . . . 74.54 111.793 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -66.21 -45.34 81.07 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.644 -0.707 . . . . 54.4 112.014 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.64 -95.47 0.16 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 116.135 -0.484 . . . . 70.51 112.381 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.89 105.94 0.86 Allowed Glycine 0 C--N 1.337 0.639 0 C-N-CA 121.376 -0.44 . . . . 74.41 112.597 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -133.59 154.38 50.92 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.412 0.285 . . . . 65.14 111.053 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.57 3.13 56.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.939 -0.573 . . . . 72.34 111.799 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.46 110.21 3.69 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 121.53 -0.366 . . . . 61.51 112.91 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -129.51 14.44 6.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.789 0.328 . . . . 72.42 111.394 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -87.87 -18.97 28.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.196 -0.456 . . . . 72.23 111.982 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.55 -18.85 34.36 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.168 0.432 . . . . 71.35 112.168 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.15 -23.87 26.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.059 0.392 . . . . 75.34 112.059 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -93.36 -14.34 26.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.32 -0.4 . . . . 74.03 111.625 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.18 -9.98 37.41 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.289 0.368 . . . . 75.21 111.755 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 mt 65.92 121.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.661 0.784 . . . . 74.41 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 p -139.94 -25.69 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.837 -0.619 . . . . 74.35 111.69 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 64.67 127.01 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.986 0.914 . . . . 73.34 111.902 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.24 -13.88 3.89 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.741 -0.663 . . . . 71.01 111.794 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -74.7 125.93 29.77 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.138 -1.392 . . . . 74.35 111.789 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -130.15 159.65 36.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.549 -0.75 . . . . 73.5 110.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.6 p -90.05 118.62 29.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.067 -0.515 . . . . 73.42 111.339 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -131.18 150.37 52.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.714 -0.675 . . . . 74.12 110.86 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 N--CA 1.465 0.3 0 CA-C-N 115.847 -0.615 . . . . 74.15 110.787 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 17' ' ' ARG . 4.0 pp . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 111.676 0.25 . . . . 75.44 111.676 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 18.7 t -57.53 136.83 56.76 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.141 0.793 . . . . 74.54 113.141 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.2 -30.15 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.758 -1.11 . . . . 65.22 111.537 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.1 t -93.45 -46.44 7.32 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.736 -0.666 . . . . 73.32 110.616 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.3 m -98.66 133.73 42.58 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 123.364 0.415 . . . . 73.22 110.236 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.13 50.74 1.8 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.508 0.671 . . . . 63.35 109.384 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -120.85 130.06 53.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.128 -0.942 . . . . 75.41 110.656 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.42 ' HA ' ' HB3' ' A' ' 10' ' ' LEU . 32.7 ptt180 -58.36 107.44 0.49 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.691 0.619 . . . . 73.24 111.154 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 18' ' ' ILE . 10.0 mt -56.34 98.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-N 115.675 -0.693 . . . . 74.1 110.136 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 18.1 ttp180 -148.09 175.94 10.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.189 -0.914 . . . . 73.25 111.629 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.428 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . 56.1 -77.93 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.846 1.258 . . . . 73.32 113.915 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -80.06 -64.18 1.24 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 122.319 0.247 . . . . 64.44 111.056 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 33.55 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.703 1.201 . . . . 64.3 113.817 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.539 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 19.7 mmt 42.35 45.16 3.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.319 1.048 . . . . 73.45 112.609 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.472 ' HG1' ' N ' ' A' ' 25' ' ' MET . 7.6 t -113.13 173.41 6.4 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.21 -0.905 . . . . 74.24 111.385 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.472 ' N ' ' HG1' ' A' ' 24' ' ' THR . 9.4 tmm? -109.79 146.23 35.35 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.556 -0.747 . . . . 73.33 110.193 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -77.95 119.04 20.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.063 -0.517 . . . . 75.34 111.58 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.517 HG13 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -86.22 -178.92 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.437 -0.801 . . . . 71.34 109.862 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.517 ' H ' HG13 ' A' ' 27' ' ' VAL . 96.4 mttt -47.78 -66.51 0.39 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.496 0.925 . . . . 71.52 113.496 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.74 -38.75 2.81 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.107 0.41 . . . . 72.31 112.107 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 79.5 mttt -102.31 152.72 20.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.013 0.375 . . . . 74.21 112.013 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 p -118.58 141.99 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.796 -0.638 . . . . 72.34 109.765 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 42.4 m-85 -135.26 152.58 51.66 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.25 0.343 . . . . 73.03 111.603 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.846 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 23.9 m80 -65.47 168.16 7.71 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.111 -0.495 . . . . 74.32 110.34 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.69 -49.81 73.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.714 0.292 . . . . 74.42 110.608 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.79 -23.23 66.04 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.588 -0.733 . . . . 74.12 111.683 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.846 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 35.1 m -86.36 -1.57 57.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.643 -0.708 . . . . 64.13 112.088 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -95.54 54.82 1.62 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.554 0.692 . . . . 74.33 109.611 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.707 ' HZ3' HE22 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -121.72 159.86 25.72 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.213 -0.903 . . . . 74.22 112.216 -179.147 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 7.6 t -66.38 147.21 53.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.671 -0.695 . . . . 74.45 111.563 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.97 -9.16 28.83 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.17 -0.468 . . . . 65.45 111.994 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -99.32 -50.52 4.09 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.785 0.291 . . . . 62.42 111.785 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.5 p -106.39 -5.79 18.74 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.647 0.24 . . . . 72.25 111.647 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.707 HE22 ' HZ3' ' A' ' 38' ' ' LYS . 21.8 mm-40 65.86 8.96 5.69 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.315 1.046 . . . . 74.42 113.055 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.2 tttt -66.08 161.67 21.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.647 0.379 . . . . 72.43 111.428 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -102.87 147.13 27.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.998 -0.547 . . . . 71.44 110.772 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.526 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 15.1 m-85 -99.81 143.81 29.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.755 -0.657 . . . . 74.55 110.811 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 p -120.57 162.16 20.1 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 65.21 111.026 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.53 130.76 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.928 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.11 -14.87 36.88 Favored Glycine 0 C--N 1.337 0.596 0 O-C-N 123.636 0.585 . . . . 73.41 113.092 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.57 149.8 23.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.642 0.258 . . . . 71.24 110.842 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -86.63 136.88 32.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.906 -0.588 . . . . 74.23 111.236 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -128.72 155.82 44.47 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.03 -0.532 . . . . 65.34 111.405 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -119.99 121.2 38.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.51 -0.768 . . . . 72.44 109.381 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -86.29 115.31 23.75 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.912 -0.586 . . . . 61.4 111.015 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.47 176.37 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.404 -0.817 . . . . 73.45 110.597 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.426 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.3 m-80 -47.82 -34.92 9.32 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.679 0.992 . . . . 75.13 113.679 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.4 m -111.18 -67.72 0.98 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.578 0.584 . . . . 70.43 112.578 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.45 -165.09 1.15 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.992 0.367 . . . . 75.52 111.992 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -94.47 135.37 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 122.864 0.466 . . . . 75.25 110.417 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.79 122.69 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.005 -0.543 . . . . 75.51 110.342 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.13 160.86 20.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.054 0.541 . . . . 72.41 112.043 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.625 ' O ' HG21 ' A' ' 65' ' ' ILE . 42.8 mt-10 -64.12 -18.91 64.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.989 -0.551 . . . . 74.23 112.11 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -66.81 -44.76 80.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.336 -0.393 . . . . 75.13 111.829 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -110.9 13.19 22.2 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.352 0.501 . . . . 42.3 112.352 -179.035 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.625 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -59.32 -54.02 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 112.771 0.656 . . . . 74.41 112.771 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.694 ' HH ' ' HZ2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.64 -52.35 66.06 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.152 0.581 . . . . 72.11 112.344 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' HD11 ' A' ' 71' ' ' ILE . 42.0 mt-10 -63.73 -41.0 98.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.665 0.617 . . . . 63.44 112.665 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.1 -50.82 64.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.564 0.346 . . . . 73.13 111.368 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.2 p -62.85 -29.08 70.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.964 0.506 . . . . 73.14 111.288 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.694 ' HZ2' ' HH ' ' A' ' 66' ' ' TYR . 32.2 tttp -65.27 -38.53 90.57 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.113 -0.949 . . . . 74.32 112.801 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.455 HD11 ' O ' ' A' ' 67' ' ' GLU . 4.7 mt -84.15 -48.08 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 113.238 0.829 . . . . 74.41 113.238 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.07 -30.17 15.42 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.332 0.864 . . . . 74.11 113.332 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.47 0 C-N-CA 120.974 -0.631 . . . . 72.21 112.719 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.607 0.241 . . . . 73.24 110.742 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.27 139.48 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.803 -0.635 . . . . 72.11 109.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 89.7 mtp -119.95 150.21 40.88 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.934 -0.575 . . . . 73.44 111.232 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.69 146.01 6.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.805 -0.634 . . . . 74.41 110.399 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.44 109.44 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 123.336 0.398 . . . . 74.34 111.005 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.4 162.99 46.58 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 115.594 -0.73 . . . . 72.13 113.423 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.05 156.92 82.88 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.105 -0.474 . . . . 73.12 111.59 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' MET . 4.4 Cg_exo -77.64 139.37 17.94 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.42 2.08 . . . . 72.51 112.58 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.17 111.46 17.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.072 -0.513 . . . . 74.13 111.217 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.4 pp -66.15 129.75 40.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.728 -0.669 . . . . 74.54 112.062 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 66.5 mtt 40.86 102.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.689 1.196 . . . . 54.4 113.577 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.24 -149.0 18.91 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.597 -0.729 . . . . 70.51 112.537 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.57 -110.96 0.27 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 121.416 -0.421 . . . . 74.41 112.573 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -99.7 149.73 23.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.332 0.253 . . . . 65.14 110.998 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -99.75 -43.0 6.61 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.781 -0.645 . . . . 72.34 111.213 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.86 75.07 0.05 OUTLIER Glycine 0 C--N 1.341 0.837 0 C-N-CA 121.38 -0.438 . . . . 61.51 112.537 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -128.32 11.16 6.36 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.797 0.332 . . . . 72.42 111.388 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.03 -24.89 23.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.011 -0.541 . . . . 72.23 111.884 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.49 -22.38 30.25 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.102 0.408 . . . . 71.35 112.102 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -87.16 -37.15 17.58 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.25 0.344 . . . . 75.34 111.643 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.11 13.18 21.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.394 0.434 . . . . 74.03 111.697 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.7 tt -90.0 -43.45 10.53 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.405 -0.361 . . . . 75.21 111.237 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.4 pp -99.67 109.13 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 123.321 0.388 . . . . 74.41 111.23 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.0 p -145.15 152.27 39.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.636 -0.711 . . . . 74.35 111.048 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -100.55 128.92 46.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.862 -0.608 . . . . 73.34 110.708 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.54 150.64 40.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.859 -0.61 . . . . 71.01 111.039 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.95 151.77 20.53 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.807 -0.633 . . . . 74.35 110.892 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -96.75 145.32 25.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.92 -0.582 . . . . 73.5 110.712 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.6 p 41.99 -177.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.817 1.247 . . . . 73.42 114.22 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -130.73 -43.37 1.11 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.165 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.236 0.348 0 O-C-N 123.378 0.424 . . . . 74.15 110.812 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 111.903 0.335 . . . . 75.44 111.903 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -74.12 133.8 42.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.972 0.415 . . . . 74.54 111.25 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.526 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.19 -24.08 66.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.526 -0.761 . . . . 65.22 111.563 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 t -97.28 -46.24 6.19 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.739 -0.664 . . . . 73.32 110.814 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.76 148.16 25.61 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.36 0.412 . . . . 73.22 110.982 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.87 46.42 1.36 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.578 -0.897 . . . . 63.35 108.578 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' C ' HD22 ' A' ' 10' ' ' LEU . 87.3 tttt -120.12 135.88 54.8 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.443 -1.253 . . . . 75.41 110.533 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -65.66 119.15 10.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.9 -0.591 . . . . 73.24 110.742 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 18' ' ' ILE . 13.0 mt -71.54 97.9 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.128 0.49 . . . . 74.1 109.808 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.527 HH21 HH22 ' A' ' 104' ' ' ARG . 28.5 ptt180 -148.27 171.8 15.38 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.171 -0.922 . . . . 73.25 111.979 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 56.3 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.805 1.242 . . . . 73.32 113.835 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.452 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.9 t80 -76.84 -60.44 2.36 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.54 0.336 . . . . 64.44 110.742 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.643 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 30.38 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.276 1.43 . . . . 64.3 114.817 179.051 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.5 mtt 49.53 40.69 19.84 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.139 0.976 . . . . 73.45 112.538 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -116.44 169.02 9.64 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.56 -0.746 . . . . 74.24 111.611 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.25 167.27 9.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.44 -0.8 . . . . 73.33 110.928 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -86.75 122.55 30.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.337 -0.392 . . . . 75.34 111.364 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.2 t -97.08 -179.02 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.683 -0.69 . . . . 71.34 109.474 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.508 ' H ' HG11 ' A' ' 27' ' ' VAL . 96.4 mttt -48.39 -66.82 0.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.773 1.027 . . . . 71.52 113.773 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.38 -42.74 2.54 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.466 0.543 . . . . 72.31 112.466 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 73.5 mttt -108.64 153.93 22.71 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.269 0.355 . . . . 74.21 111.655 -178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -112.67 138.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.9 -0.591 . . . . 72.34 109.817 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 32.9 m-85 -117.85 150.44 39.17 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.052 -0.522 . . . . 73.03 111.137 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.829 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 18.1 m80 -65.58 164.18 14.71 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.735 -0.469 . . . . 74.32 109.735 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.21 -47.61 76.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.696 0.225 . . . . 74.42 110.683 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.54 -24.88 66.43 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.962 -0.563 . . . . 74.12 111.385 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.829 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 37.0 m -86.26 -5.28 59.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.754 -0.657 . . . . 64.13 112.316 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -94.07 55.29 2.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.517 0.675 . . . . 74.33 110.388 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -121.37 160.73 23.43 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.183 -0.917 . . . . 74.22 111.747 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 23.3 t -66.15 146.95 54.05 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.215 0.606 . . . . 74.45 111.656 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.97 -6.52 38.78 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.433 0.458 . . . . 65.45 112.08 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.84 -48.99 3.91 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.911 0.337 . . . . 62.42 111.911 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.9 p -110.0 -4.2 16.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.752 0.279 . . . . 72.25 111.752 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 65.0 11.81 7.39 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.157 0.983 . . . . 74.42 113.079 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.0 tttt -65.94 162.4 19.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.56 0.344 . . . . 72.43 111.33 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -101.58 151.41 22.02 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.029 -0.532 . . . . 71.44 110.902 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.453 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 24.8 m-85 -104.98 136.59 44.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.73 -0.668 . . . . 74.55 111.015 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.57 165.48 14.95 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.294 -0.866 . . . . 65.21 111.07 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.68 140.57 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 122.934 0.494 . . . . 74.21 111.616 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.97 5.92 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 115.935 -0.575 . . . . 73.41 113.133 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.58 152.39 19.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.326 0.25 . . . . 71.24 111.277 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -88.22 142.92 27.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.4 153.56 46.95 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.066 -0.515 . . . . 65.34 111.314 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 tt -116.23 126.26 53.37 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.52 -0.763 . . . . 72.44 109.663 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -89.26 113.63 24.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.907 -0.588 . . . . 61.4 110.748 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.588 HG21 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.13 176.42 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-N 115.518 -0.764 . . . . 73.45 110.652 179.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -47.77 -33.94 7.83 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.882 1.067 . . . . 75.13 113.882 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.2 m -120.03 -57.88 1.91 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.852 0.686 . . . . 70.43 112.852 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.588 ' O ' HG21 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.33 -163.12 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.025 0.38 . . . . 75.52 112.025 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.557 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -105.52 138.68 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 122.86 0.464 . . . . 75.25 110.045 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.0 t -120.78 126.61 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 123.517 0.511 . . . . 75.51 110.384 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.25 159.36 23.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.885 -0.598 . . . . 72.41 111.929 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.637 ' O ' HG21 ' A' ' 65' ' ' ILE . 10.9 tt0 -63.11 -20.48 65.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.914 0.485 . . . . 74.23 111.647 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -67.02 -41.7 86.17 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.762 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.4 6.09 21.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.643 0.608 . . . . 42.3 112.643 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.637 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.21 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.223 0.823 . . . . 74.41 113.223 -178.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.82 -53.23 60.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.07 0.548 . . . . 72.11 112.478 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.12 -39.84 93.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.778 0.659 . . . . 63.44 112.778 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -65.5 -51.3 61.04 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.633 0.373 . . . . 73.13 111.76 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 p -64.33 -29.42 70.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.059 0.457 . . . . 73.14 111.367 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 31.6 tttp -65.56 -41.43 92.97 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.05 -0.977 . . . . 74.32 112.011 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 67' ' ' GLU . 14.0 mm -84.73 -46.95 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.09 -0.505 . . . . 74.41 111.702 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -76.81 -29.83 56.16 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.698 0.629 . . . . 74.11 112.698 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.606 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.532 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.442 0.163 . . . . 73.24 110.845 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.1 t -102.65 134.48 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 115.97 -0.559 . . . . 72.11 110.065 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -120.14 153.89 35.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.663 -0.699 . . . . 73.44 110.895 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.16 149.97 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.983 -0.553 . . . . 74.41 110.538 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.14 110.27 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.893 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.04 151.01 52.02 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.629 -0.714 . . . . 72.13 113.751 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.98 116.75 35.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 122.922 0.489 . . . . 73.12 111.616 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.9 152.97 80.03 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.511 2.141 . . . . 72.51 112.965 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -107.46 121.45 44.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.879 -0.6 . . . . 74.13 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.82 151.15 47.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.865 -0.607 . . . . 74.54 111.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.7 mmt 41.09 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.711 1.204 . . . . 54.4 113.585 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.88 55.03 0.56 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.534 -0.757 . . . . 70.51 112.42 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.93 151.72 5.59 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.515 -0.374 . . . . 74.41 112.51 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -124.11 150.31 45.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.716 0.293 . . . . 65.14 111.068 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 48.73 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.395 1.078 . . . . 72.34 112.685 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -127.16 -163.31 11.41 Favored Glycine 0 C--O 1.235 0.207 0 CA-C-N 114.319 -1.309 . . . . 61.51 112.543 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -133.87 85.65 2.22 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.285 0.564 . . . . 72.42 110.623 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -88.43 -32.92 18.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.377 -0.829 . . . . 72.23 111.968 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -84.39 -27.3 27.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.111 0.411 . . . . 71.35 112.111 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -87.07 -27.7 22.99 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.79 0.293 . . . . 75.34 111.79 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.527 HH22 HH21 ' A' ' 19' ' ' ARG . 79.2 mtp180 -92.15 -4.24 54.52 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.335 0.397 . . . . 74.03 111.904 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.6 tt -92.56 -43.48 9.12 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.532 -0.304 . . . . 75.21 111.144 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -99.06 125.77 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.324 0.39 . . . . 74.41 111.374 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 p -139.06 139.39 37.76 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.879 -0.6 . . . . 74.35 110.994 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -99.38 -43.3 6.62 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.953 -0.567 . . . . 73.34 111.272 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.2 146.58 45.07 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.289 0.368 . . . . 71.01 110.905 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.04 23.75 6.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.876 -0.602 . . . . 74.35 111.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.41 131.84 47.31 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.846 -0.615 . . . . 73.5 110.852 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -103.77 143.48 32.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.925 -0.58 . . . . 73.42 111.092 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -114.15 150.27 34.42 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.848 -0.615 . . . . 74.12 110.907 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.919 -0.582 . . . . 74.15 110.834 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 3.7 mm? . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.107 0.479 . . . . 75.44 111.8 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.89 148.61 51.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.123 -0.944 . . . . 74.54 111.954 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -66.31 -36.52 83.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.327 -0.851 . . . . 65.22 111.799 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -96.03 -41.8 8.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.655 -0.702 . . . . 73.32 111.61 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -97.76 155.48 17.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.107 0.254 . . . . 73.22 110.867 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.6 27.41 2.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.256 0.55 . . . . 63.35 110.325 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -113.98 138.28 50.57 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.478 -0.783 . . . . 75.41 110.415 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 10' ' ' LEU . 44.2 mtt180 -66.03 155.85 35.47 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 115.629 -0.714 . . . . 73.24 111.209 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.602 HG12 ' CD2' ' A' ' 33' ' ' HIS . 78.2 mt -120.04 98.09 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 121.429 0.633 . . . . 74.1 112.402 -177.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.587 ' HA ' ' OE2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -150.69 159.77 44.29 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.759 -1.11 . . . . 73.25 110.897 178.818 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.457 ' H ' ' HD3' ' A' ' 19' ' ' ARG . . . 51.08 -81.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 124.307 1.043 . . . . 73.32 113.807 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -64.79 -20.23 66.26 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.895 0.478 . . . . 64.44 110.838 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.587 ' OE2' ' HA ' ' A' ' 19' ' ' ARG . 4.2 pt-20 -29.05 -60.71 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.783 1.233 . . . . 64.3 113.874 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.826 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 25.6 mmt 40.46 68.23 0.43 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.851 0.834 . . . . 73.45 110.234 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.676 ' HG1' ' H ' ' A' ' 25' ' ' MET . 14.9 t -157.5 -173.79 4.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 114.6 -1.182 . . . . 74.24 110.081 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.676 ' H ' ' HG1' ' A' ' 24' ' ' THR . 3.1 ppp? -117.2 164.52 14.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.691 -0.404 . . . . 73.33 112.064 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.729 ' H ' ' H ' ' A' ' 90' ' ' GLU . 40.9 ttt180 -100.11 122.85 43.61 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 75.34 109.939 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.516 HG13 ' H ' ' A' ' 28' ' ' LYS . 1.4 t -89.96 -179.18 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.903 -0.59 . . . . 71.34 110.191 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' H ' HG13 ' A' ' 27' ' ' VAL . 89.6 mttt -48.59 -62.6 1.42 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.731 1.012 . . . . 71.52 113.731 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.59 -38.1 2.92 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.137 0.421 . . . . 72.31 112.137 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -99.99 154.2 18.58 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.523 0.515 . . . . 74.21 111.549 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -120.11 135.39 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.259 -0.645 . . . . 72.34 109.259 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 73.5 m-85 -123.24 146.6 47.71 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.455 0.472 . . . . 73.03 111.674 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.803 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 28.3 m80 -64.91 174.01 2.08 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.395 0.678 . . . . 74.32 111.831 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.674 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.5 pp -65.52 -47.03 77.35 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 109.946 -0.391 . . . . 74.42 109.946 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.14 -20.49 66.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.191 -0.913 . . . . 74.12 110.808 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.803 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 13.9 m -96.72 -4.48 40.65 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.251 -0.886 . . . . 64.13 112.238 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -115.41 58.96 0.72 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.375 0.607 . . . . 74.33 110.342 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -120.97 159.8 24.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.412 -0.813 . . . . 74.22 111.64 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.4 t -66.12 146.97 54.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.603 -0.726 . . . . 74.45 111.861 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.06 -1.35 57.8 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.923 -0.58 . . . . 65.45 111.988 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.29 -48.2 2.97 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.053 0.39 . . . . 62.42 112.053 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.1 p -110.37 -6.75 14.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.875 0.324 . . . . 72.25 111.875 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 17.8 mm-40 65.01 10.67 6.46 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.101 0.96 . . . . 74.42 112.998 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 63.1 tttt -65.9 161.7 20.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.698 0.399 . . . . 72.43 111.518 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -97.05 153.9 17.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.762 -0.654 . . . . 71.44 111.033 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.451 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 15.7 m-85 -102.6 148.66 25.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.931 -0.577 . . . . 74.55 111.13 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -121.15 161.45 21.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.995 -1.002 . . . . 65.21 111.85 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.83 136.4 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.87 -0.605 . . . . 74.21 112.422 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.44 6.14 58.75 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.95 -0.568 . . . . 73.41 113.586 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.493 ' O ' HG22 ' A' ' 88' ' ' VAL . 7.9 m-20 -119.62 147.57 44.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.798 0.299 . . . . 71.24 111.06 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -90.04 138.1 31.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.809 -0.632 . . . . 74.23 110.875 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.416 ' OH ' HG12 ' A' ' 27' ' ' VAL . 44.2 p90 -128.57 159.9 34.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.061 -0.518 . . . . 65.34 111.524 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tt -117.71 125.96 51.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.566 -0.743 . . . . 72.44 109.457 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 tt -91.11 110.83 22.11 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.961 -0.563 . . . . 61.4 110.462 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -88.38 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.557 -0.747 . . . . 73.45 110.875 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' H ' HG13 ' A' ' 55' ' ' ILE . 18.1 m-80 -47.95 -35.49 10.85 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.681 0.993 . . . . 75.13 113.681 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.5 m -107.79 -72.23 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.097 0.406 . . . . 70.43 112.097 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' HG23 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.39 -164.98 1.14 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.25 0.22 . . . . 75.52 111.538 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.578 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -95.66 142.73 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 122.679 0.391 . . . . 75.25 110.224 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.446 HG21 ' CD1' ' A' ' 68' ' ' TRP . 10.9 t -120.34 125.05 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 O-C-N 123.543 0.527 . . . . 75.51 109.999 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 p -62.83 157.28 21.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.139 0.575 . . . . 72.41 112.122 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.65 ' O ' HG23 ' A' ' 65' ' ' ILE . 43.1 mt-10 -60.9 -21.65 63.56 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.929 -0.578 . . . . 74.23 111.994 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -41.04 86.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.744 0.417 . . . . 75.13 111.691 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -110.44 5.83 21.68 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.666 0.617 . . . . 42.3 112.666 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.55 -53.62 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 113.141 0.793 . . . . 74.41 113.141 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.0 t80 -60.07 -52.87 63.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.582 0.586 . . . . 72.11 112.582 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.565 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.0 -39.18 93.08 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.781 0.66 . . . . 63.44 112.781 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.446 ' CD1' HG21 ' A' ' 60' ' ' VAL . 61.2 t-105 -65.4 -53.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.555 0.342 . . . . 73.13 111.255 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -61.39 -28.93 69.6 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.27 0.557 . . . . 73.14 111.166 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 58.0 tttt -65.1 -38.51 90.93 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.913 -1.039 . . . . 74.32 112.684 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.2 mm -84.19 -47.55 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 112.974 0.731 . . . . 74.41 112.974 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -92.75 -30.04 15.72 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 113.126 0.787 . . . . 74.11 113.126 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.549 0 C-N-CA 121.024 -0.608 . . . . 72.21 112.747 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.524 0.202 . . . . 73.24 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 t -125.41 137.91 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.842 -0.617 . . . . 72.11 109.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.505 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 66.7 mtm -108.51 147.45 31.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.78 -0.646 . . . . 73.44 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.92 148.44 6.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.865 -0.607 . . . . 74.41 110.766 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 50' ' ' ASP . 96.8 t -58.99 109.82 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 115.712 -0.677 . . . . 74.34 111.375 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.525 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.42 -117.6 0.01 OUTLIER Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.138 -0.937 . . . . 72.13 114.92 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.729 ' H ' ' H ' ' A' ' 26' ' ' ARG . 11.0 mt-10 -49.96 164.58 0.35 Allowed Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 124.407 1.083 . . . . 73.12 112.513 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -83.3 147.14 12.69 Favored 'Trans proline' 0 C--N 1.375 1.935 0 N-CA-C 117.27 1.989 . . . . 72.51 117.27 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.75 ' HA ' ' C ' ' A' ' 23' ' ' MET . 7.5 t -102.17 164.63 11.59 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 111.527 -2.579 . . . . 74.13 107.615 174.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.826 ' H ' ' HB3' ' A' ' 23' ' ' MET . 5.4 tt -39.84 97.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.851 1.261 . . . . 74.54 112.774 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 tpp -66.46 -48.86 68.57 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.361 -1.29 . . . . 54.4 112.082 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -118.97 -85.58 0.99 Allowed Glycine 0 C--N 1.343 0.932 0 O-C-N 123.379 0.424 . . . . 70.51 112.988 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.31 -164.1 28.72 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 121.303 -0.475 . . . . 74.41 112.882 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -103.41 161.95 13.42 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.514 0.326 . . . . 65.14 110.982 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -87.47 -42.9 12.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.096 -0.502 . . . . 72.34 111.667 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.89 138.7 3.02 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 121.366 -0.445 . . . . 61.51 112.731 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -129.76 60.83 1.58 Allowed 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.478 0.656 . . . . 72.42 110.425 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -88.19 -23.04 23.7 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.345 -0.843 . . . . 72.23 112.176 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.66 -20.77 30.75 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.573 0.582 . . . . 71.35 112.573 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.12 -15.17 39.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.372 0.508 . . . . 75.34 112.372 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -89.61 -29.67 18.68 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.044 0.387 . . . . 74.03 112.044 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -41.76 10.84 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.394 0.434 . . . . 75.21 111.694 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.98 151.01 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 123.348 0.405 . . . . 74.41 111.51 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 p -127.17 125.11 40.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.897 -0.592 . . . . 74.35 110.973 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -105.42 138.5 41.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.907 -0.588 . . . . 73.34 110.867 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.55 140.42 51.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.875 -0.602 . . . . 71.01 110.975 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.01 143.92 32.54 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.846 -0.615 . . . . 74.35 110.804 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -128.69 142.53 50.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.879 -0.601 . . . . 73.5 110.866 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.2 t -103.33 -44.1 5.25 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.83 -0.623 . . . . 73.42 111.306 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -99.06 149.74 22.72 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.422 0.451 . . . . 74.12 110.975 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 115.879 -0.601 . . . . 74.15 111.019 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.737 0.303 . . . . 75.44 111.476 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 t -95.06 114.13 25.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.51 -0.768 . . . . 74.54 110.128 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . . . -65.99 -6.35 12.41 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.961 1.097 . . . . 65.22 113.961 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -98.0 -53.68 3.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.923 0.342 . . . . 73.32 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 p -100.9 0.74 38.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.325 0.491 . . . . 73.22 112.325 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 57.28 28.87 15.86 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.687 0.795 . . . . 63.35 112.451 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -104.66 142.97 33.73 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.88 -0.6 . . . . 75.41 110.161 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -65.5 125.12 24.18 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.759 -0.655 . . . . 73.24 111.411 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 22' ' ' GLU . 64.1 mt -76.56 142.61 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 109.367 -0.605 . . . . 74.1 109.367 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -121.51 -174.4 2.85 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.453 0.47 . . . . 73.25 111.884 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -19.67 18.21 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.425 0.898 . . . . 73.32 113.425 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.614 ' O ' ' HG2' ' A' ' 23' ' ' MET . 66.3 t80 -68.7 -63.93 0.96 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.759 -0.459 . . . . 64.44 109.759 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.634 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 32.96 -71.12 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.874 1.805 . . . . 64.3 115.874 178.75 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 39.0 mmt 49.71 44.69 24.78 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.664 0.745 . . . . 73.45 110.826 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 22' ' ' GLU . 42.1 p -117.79 169.49 9.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.898 -1.046 . . . . 74.24 112.248 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.403 ' HE1' ' H ' ' A' ' 89' ' ' GLY . 2.3 ppp? -104.63 159.54 15.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.365 -0.834 . . . . 73.33 110.073 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -86.65 119.63 27.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.962 0.41 . . . . 75.34 111.391 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -91.69 -179.24 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 115.326 -0.852 . . . . 71.34 109.537 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.659 ' HE3' ' SD ' ' A' ' 86' ' ' MET . 86.6 mttt -53.43 -64.4 0.83 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.652 0.982 . . . . 71.52 113.652 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.63 -42.58 2.52 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 112.619 0.6 . . . . 72.31 112.619 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.9 mttt -108.89 141.76 40.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.242 0.46 . . . . 74.21 112.242 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.47 140.26 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.756 -0.831 . . . . 72.34 108.756 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 12' ' ' ALA . 36.5 m-85 -128.48 155.56 44.62 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.367 0.417 . . . . 73.03 111.51 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.662 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 19.8 m80 -65.42 157.92 28.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.977 0.511 . . . . 74.32 110.947 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 22' ' ' GLU . 3.3 pp -65.64 -45.62 82.36 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.775 0.322 . . . . 74.42 110.712 178.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.21 -27.1 67.72 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.523 -0.762 . . . . 74.12 111.51 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.662 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 29.1 m -89.08 -3.33 58.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.761 -0.654 . . . . 64.13 111.882 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -89.17 55.99 3.51 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.527 0.679 . . . . 74.33 110.171 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -120.68 163.41 18.11 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.118 -0.947 . . . . 74.22 111.748 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 33.7 t -65.91 147.02 54.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.439 0.695 . . . . 74.45 111.719 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.07 -12.0 34.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.872 0.693 . . . . 65.45 112.872 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.57 -50.38 3.59 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.29 0.478 . . . . 62.42 112.29 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.577 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 19.1 p -105.4 -5.2 20.6 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.864 0.32 . . . . 72.25 111.864 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.2 mm-40 64.87 11.98 7.4 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.198 0.999 . . . . 74.42 113.286 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.577 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 58.7 tttt -65.79 162.81 17.99 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.562 0.345 . . . . 72.43 111.309 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -99.33 153.02 19.3 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.156 -0.475 . . . . 71.44 111.14 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 15.1 m-85 -104.04 146.29 28.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.646 -0.706 . . . . 74.55 111.02 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 t -120.63 158.28 27.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.408 -0.815 . . . . 65.21 111.032 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.7 134.06 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.094 -0.503 . . . . 74.21 112.184 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -24.41 23.23 Favored Glycine 0 C--N 1.337 0.638 0 O-C-N 123.605 0.566 . . . . 73.41 113.374 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.04 152.67 19.16 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.364 0.266 . . . . 71.24 111.34 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -85.77 136.81 33.18 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.89 -0.595 . . . . 74.23 111.229 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -126.21 153.75 44.25 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.543 0.527 . . . . 65.34 111.344 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' O ' HG21 ' A' ' 59' ' ' ILE . 2.0 tp -112.67 131.31 55.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.707 -0.679 . . . . 72.44 109.644 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -94.59 110.58 22.38 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.568 0.543 . . . . 61.4 110.268 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.67 176.04 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 115.659 -0.7 . . . . 73.45 110.77 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -48.03 -35.05 10.38 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.772 1.027 . . . . 75.13 113.772 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.8 m -120.18 -56.55 1.99 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.825 0.676 . . . . 70.43 112.825 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.588 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.23 -161.3 0.87 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.017 0.377 . . . . 75.52 112.017 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -108.98 143.14 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 122.732 0.413 . . . . 75.25 110.272 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -120.22 125.64 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.906 -0.588 . . . . 75.51 110.081 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.497 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 8.4 p -65.57 158.54 26.81 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.072 -0.513 . . . . 72.41 112.181 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.558 ' O ' HG21 ' A' ' 65' ' ' ILE . 9.8 tt0 -63.6 -18.77 64.25 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.71 -0.677 . . . . 74.23 112.402 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -66.27 -52.66 45.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.331 0.493 . . . . 75.13 112.331 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -110.59 15.03 22.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.314 0.487 . . . . 42.3 112.314 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.558 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.28 -43.93 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.5 0.72 . . . . 74.41 112.877 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -62.06 -51.45 67.92 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.197 0.599 . . . . 72.11 112.305 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.589 ' O ' HD11 ' A' ' 71' ' ' ILE . 42.1 mt-10 -63.98 -42.13 97.31 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.604 0.594 . . . . 63.44 112.604 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.475 ' HE1' HG12 ' A' ' 55' ' ' ILE . 48.8 t-105 -65.2 -46.41 80.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.602 0.361 . . . . 73.13 111.917 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 p -65.26 -29.56 70.34 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.808 0.443 . . . . 73.14 111.717 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.37 -41.48 93.72 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.568 -0.742 . . . . 74.32 111.689 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.589 HD11 ' O ' ' A' ' 67' ' ' GLU . 3.4 mt -84.64 -47.29 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 123.411 0.444 . . . . 74.41 111.371 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -79.63 -0.91 35.78 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.845 -0.616 . . . . 74.11 112.569 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.723 0 C-N-CA 121.375 -0.44 . . . . 72.21 112.533 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.507 0.194 . . . . 73.24 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.89 145.77 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 115.905 -0.588 . . . . 72.11 110.029 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.659 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 5.6 mmt -119.35 150.95 39.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.883 -0.599 . . . . 73.44 110.973 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.31 142.42 14.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.01 -0.541 . . . . 74.41 110.359 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.46 110.26 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 123.444 0.465 . . . . 74.34 110.676 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.403 ' H ' ' HE1' ' A' ' 25' ' ' MET . . . -65.98 150.4 51.81 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.741 -0.663 . . . . 72.13 113.452 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.23 111.66 7.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.645 0.378 . . . . 73.12 111.584 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.89 162.29 32.83 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.408 2.072 . . . . 72.51 112.53 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -102.58 110.85 22.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 74.13 110.999 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.592 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 5.8 mp -66.65 150.73 48.62 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.485 -0.78 . . . . 74.54 112.047 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 8.7 ttt -65.9 -41.49 91.41 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.92 -0.582 . . . . 54.4 111.826 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.95 71.48 0.41 Allowed Glycine 0 C--N 1.34 0.759 0 CA-C-N 116.106 -0.497 . . . . 70.51 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.61 -47.89 0.04 OUTLIER Glycine 0 C--N 1.338 0.694 0 C-N-CA 121.35 -0.453 . . . . 74.41 112.75 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -95.8 149.33 21.63 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.311 0.245 . . . . 65.14 111.176 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.93 -41.21 5.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.761 -0.654 . . . . 72.34 111.177 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.68 133.79 8.15 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.473 0.483 . . . . 61.51 112.447 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -121.7 78.79 1.49 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.312 0.577 . . . . 72.42 110.747 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.48 -19.04 26.99 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.395 -0.82 . . . . 72.23 111.982 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 -23.8 29.95 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.392 0.516 . . . . 71.35 112.392 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.11 -29.33 21.92 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.891 0.33 . . . . 75.34 111.891 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -93.35 -1.79 55.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.273 0.358 . . . . 74.03 111.833 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.8 tt -94.95 -45.17 7.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.593 -0.276 . . . . 75.21 111.2 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -105.13 148.25 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 123.27 0.356 . . . . 74.41 111.433 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -140.15 148.07 41.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.653 -0.703 . . . . 74.35 110.92 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -126.71 148.63 49.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.904 -0.589 . . . . 73.34 111.002 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -122.38 149.2 44.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.785 -0.643 . . . . 71.01 110.929 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -118.03 147.5 43.16 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.992 -0.549 . . . . 74.35 111.058 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -123.39 143.99 49.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.793 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.4 p -120.03 -46.1 2.44 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.951 -0.568 . . . . 73.42 111.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -100.15 142.31 31.8 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.393 0.433 . . . . 74.12 110.993 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 C--O 1.234 0.247 0 CA-C-N 115.854 -0.612 . . . . 74.15 110.486 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 111.661 0.245 . . . . 75.44 111.661 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -98.77 120.02 38.51 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.75 -0.659 . . . . 74.54 109.971 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -66.15 -6.23 12.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.403 1.26 . . . . 65.22 114.403 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -108.9 -53.94 2.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.469 0.544 . . . . 73.32 112.469 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.0 -2.74 42.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.274 0.472 . . . . 73.22 112.274 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 58.79 24.18 12.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.803 0.841 . . . . 63.35 112.768 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -100.9 147.05 26.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.512 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -65.33 121.34 14.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.918 -0.583 . . . . 73.24 111.063 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.543 HG12 ' NE2' ' A' ' 33' ' ' HIS . 85.9 mt -83.28 98.54 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.516 0.674 . . . . 74.1 110.106 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -147.82 154.08 40.01 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.354 -1.294 . . . . 73.25 111.442 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.18 -70.78 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.625 1.17 . . . . 73.32 113.939 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 6.1 t80 -59.09 -63.47 1.29 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.158 0.583 . . . . 64.44 111.601 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.551 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 29.14 -86.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.911 1.448 . . . . 64.3 114.911 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.722 ' HA ' ' O ' ' A' ' 92' ' ' THR . 43.9 mmm 53.93 26.27 6.12 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.453 0.701 . . . . 73.45 112.261 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.414 ' HG1' ' N ' ' A' ' 25' ' ' MET . 8.7 t -119.71 -179.98 4.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.066 -0.516 . . . . 74.24 111.955 -178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.414 ' N ' ' HG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -107.78 170.74 7.8 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.628 -0.715 . . . . 73.33 111.45 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -95.86 127.68 42.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 75.34 110.462 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.539 HG13 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.99 -178.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.829 -0.623 . . . . 71.34 109.716 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.539 ' H ' HG13 ' A' ' 27' ' ' VAL . 96.1 mttt -43.75 -66.14 0.42 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.838 1.051 . . . . 71.52 113.838 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.4 -41.74 2.59 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.235 0.458 . . . . 72.31 112.235 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.5 mttt -102.36 151.73 21.91 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.301 0.376 . . . . 74.21 111.533 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 t -109.0 131.98 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.813 -0.63 . . . . 72.34 109.462 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 85.9 m-85 -121.15 145.33 47.93 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.473 0.483 . . . . 73.03 111.597 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.698 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.9 m80 -65.51 165.95 11.29 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.897 -0.592 . . . . 74.32 111.13 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -65.43 -48.7 71.86 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.613 0.244 . . . . 74.42 110.854 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.57 -29.98 70.18 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.797 -0.638 . . . . 74.12 111.372 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.698 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 24.4 m -83.79 -10.32 58.16 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.488 -0.778 . . . . 64.13 111.816 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -98.03 55.58 1.17 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.42 0.628 . . . . 74.33 109.845 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -121.04 162.17 20.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.399 -0.818 . . . . 74.22 112.069 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.6 t -66.19 147.05 53.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.589 -0.732 . . . . 74.45 111.774 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.42 -3.97 46.03 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.026 -0.534 . . . . 65.45 111.852 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB2' ' OD2' ' A' ' 64' ' ' ASP . . . -106.14 -47.95 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.961 0.356 . . . . 62.42 111.961 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 28.0 p -109.73 -5.39 15.62 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.1 0.25 . . . . 72.25 111.649 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 65.27 10.73 6.7 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.194 0.997 . . . . 74.42 113.044 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.3 tttp -66.13 161.07 22.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.628 0.371 . . . . 72.43 111.376 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -100.8 152.89 19.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.999 -0.546 . . . . 71.44 111.015 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 32.1 m-85 -107.97 130.87 55.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.735 -0.666 . . . . 74.55 111.333 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.4 m -120.78 171.35 8.67 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.933 -1.03 . . . . 65.21 110.834 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.52 141.51 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 122.81 0.444 . . . . 74.21 112.177 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.84 -34.03 5.91 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.854 -0.612 . . . . 73.41 113.027 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -96.4 152.24 18.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.622 0.248 . . . . 71.24 111.024 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -92.07 141.65 28.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.832 -0.622 . . . . 74.23 111.36 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -123.42 153.56 40.24 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.535 0.522 . . . . 65.34 111.513 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.94 124.59 47.43 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.404 -0.816 . . . . 72.44 109.639 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.41 111.49 20.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.898 -0.592 . . . . 61.4 110.758 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -88.06 176.37 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.53 -0.759 . . . . 73.45 110.728 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' H ' HG13 ' A' ' 55' ' ' ILE . 18.0 m-80 -47.76 -34.41 8.42 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.802 1.038 . . . . 75.13 113.802 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 t -115.12 -64.04 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.446 0.535 . . . . 70.43 112.446 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.2 m-20 -120.48 -162.48 0.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.081 0.4 . . . . 75.52 112.081 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -97.48 134.3 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 122.883 0.473 . . . . 75.25 110.141 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.7 124.51 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.465 0.478 . . . . 75.51 110.34 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.9 p -65.02 160.55 20.62 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.819 -0.628 . . . . 72.41 112.061 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 65' ' ' ILE . 48.3 mt-10 -65.02 -19.8 66.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 74.23 111.881 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -66.98 -41.78 86.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.804 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' A' ' 41' ' ' ALA . 2.4 m-20 -110.55 5.63 21.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.597 0.592 . . . . 42.3 112.597 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.22 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.097 0.777 . . . . 74.41 113.097 -178.417 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.8 t80 -59.52 -52.49 65.34 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.972 0.509 . . . . 72.11 112.25 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.56 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.08 -38.55 91.11 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.597 0.591 . . . . 63.44 112.597 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -65.23 -52.53 54.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.531 0.332 . . . . 73.13 111.06 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.3 p -62.38 -28.95 70.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.935 0.494 . . . . 73.14 111.014 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 59.9 tttt -65.02 -38.69 91.74 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.976 -1.011 . . . . 74.32 112.683 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.6 mm -84.14 -47.61 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.027 0.751 . . . . 74.41 113.027 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.04 -30.21 15.42 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.18 0.808 . . . . 74.11 113.18 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.471 0 C-N-CA 121.026 -0.607 . . . . 72.21 112.645 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.555 0.217 . . . . 73.24 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.79 141.59 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.907 -0.588 . . . . 72.11 110.054 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 mtt -119.58 151.59 38.41 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.904 -0.589 . . . . 73.44 110.937 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.92 154.07 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.897 -0.592 . . . . 74.41 111.071 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.2 123.01 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 115.66 -0.7 . . . . 74.34 110.748 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.47 175.66 15.43 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-N 115.826 -0.624 . . . . 72.13 113.969 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 119.68 62.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 123.074 0.55 . . . . 73.12 112.092 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.73 170.3 19.33 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.525 2.15 . . . . 72.51 113.141 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.722 ' O ' ' HA ' ' A' ' 23' ' ' MET . 7.8 p -101.94 111.07 23.2 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.991 -0.55 . . . . 74.13 110.147 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.06 153.27 42.7 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.563 0.949 . . . . 74.54 113.563 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 42.67 109.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.32 1.448 . . . . 54.4 113.84 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 21' ' ' TYR . . . -170.39 -39.15 0.03 OUTLIER Glycine 0 C--N 1.337 0.614 0 CA-C-N 114.753 -1.112 . . . . 70.51 112.507 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.79 -151.26 5.63 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 121.536 -0.364 . . . . 74.41 112.552 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.93 164.06 26.14 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.722 0.307 . . . . 65.14 110.934 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -89.96 -42.36 11.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.209 -0.45 . . . . 72.34 111.674 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.47 -122.07 1.39 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 121.275 -0.488 . . . . 61.51 112.686 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.79 91.6 2.49 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.316 0.579 . . . . 72.42 110.365 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -87.81 -18.7 28.74 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.198 -0.91 . . . . 72.23 112.036 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.08 -23.47 33.1 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.134 0.42 . . . . 71.35 112.134 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.09 -14.85 40.21 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.287 0.367 . . . . 75.34 111.981 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -92.38 5.22 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.402 -0.363 . . . . 74.03 111.769 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -90.65 -41.94 11.04 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.371 -0.377 . . . . 75.21 111.205 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.57 117.99 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.388 -0.369 . . . . 74.41 111.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.8 p -140.24 147.77 40.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.817 -0.629 . . . . 74.35 111.126 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -108.98 148.24 31.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.904 -0.589 . . . . 73.34 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.11 147.03 43.7 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.86 -0.609 . . . . 71.01 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 62.39 125.63 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.925 0.89 . . . . 74.35 112.079 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -114.76 141.3 48.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.751 -0.659 . . . . 73.5 110.852 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.8 t -101.85 124.26 47.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.96 -0.564 . . . . 73.42 111.019 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -130.01 141.73 50.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.859 -0.609 . . . . 74.12 110.492 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--O 1.234 0.281 0 CA-C-N 115.892 -0.594 . . . . 74.15 110.527 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--O 1.235 0.329 0 N-CA-C 112.002 0.371 . . . . 75.44 112.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 42.3 t -76.71 149.32 36.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.637 -0.71 . . . . 74.54 111.371 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -65.84 -35.72 81.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.294 -0.866 . . . . 65.22 112.097 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -97.58 -39.96 8.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.73 -0.668 . . . . 73.32 111.654 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 m -98.3 147.87 24.22 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.2 0.312 . . . . 73.22 111.016 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.03 37.17 1.09 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.665 0.745 . . . . 63.35 109.424 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -111.87 139.87 47.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 114.913 -1.04 . . . . 75.41 110.733 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -65.85 116.02 6.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.776 -0.647 . . . . 73.24 111.244 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 33' ' ' HIS . 52.0 mt -72.67 98.29 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.329 0.585 . . . . 74.1 110.01 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -148.2 -174.95 4.72 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.836 -1.074 . . . . 73.25 111.92 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.34 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.906 1.282 . . . . 73.32 113.671 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.409 ' O ' ' HG3' ' A' ' 23' ' ' MET . 58.6 t80 -79.29 -56.9 4.0 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 122.511 0.324 . . . . 64.44 110.414 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.568 ' OE2' ' HA ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 28.8 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.57 1.322 . . . . 64.3 114.57 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 65.1 mtt 47.09 53.1 11.09 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.113 0.965 . . . . 73.45 111.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 32' ' ' TYR . 18.5 p -116.05 162.87 16.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.045 -0.979 . . . . 74.24 112.298 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -103.43 151.4 22.84 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.306 -0.861 . . . . 73.33 109.621 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -80.14 120.68 24.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.399 -0.364 . . . . 75.34 111.684 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.5 t -87.59 -179.24 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-N 115.709 -0.678 . . . . 71.34 109.581 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' H ' HG12 ' A' ' 27' ' ' VAL . 94.1 mttt -45.96 -64.45 0.74 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.994 1.109 . . . . 71.52 113.994 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.44 -44.96 2.44 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.061 0.393 . . . . 72.31 112.061 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 30.9 mtmt -110.28 151.92 26.79 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.238 0.336 . . . . 74.21 111.717 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -108.74 150.44 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.953 -0.567 . . . . 72.34 110.193 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 51.2 m-85 -132.04 153.64 50.2 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.012 -0.54 . . . . 73.03 111.268 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.862 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 22.6 m80 -65.61 163.37 16.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.985 0.514 . . . . 74.32 110.507 177.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 22' ' ' GLU . 2.6 mt -59.23 -50.2 74.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.61 0.243 . . . . 74.42 110.848 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.68 -22.75 66.08 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.765 -0.652 . . . . 74.12 111.593 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.862 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.1 m -84.78 -1.42 56.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.702 -0.681 . . . . 64.13 111.844 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.16 55.01 1.73 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.505 0.669 . . . . 74.33 109.804 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -120.97 162.04 20.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.234 -0.894 . . . . 74.22 111.58 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 37.3 t -66.21 147.18 53.71 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.811 -0.631 . . . . 74.45 111.744 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.85 -5.88 49.99 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.917 -0.583 . . . . 65.45 112.331 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB2' ' OD2' ' A' ' 64' ' ' ASP . . . -107.09 -50.58 3.07 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.087 0.403 . . . . 62.42 112.087 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.7 p -107.11 -4.81 18.49 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.774 0.287 . . . . 72.25 111.774 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 64.66 11.28 6.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.102 0.961 . . . . 74.42 113.0 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.3 tttt -65.91 161.99 20.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.669 0.388 . . . . 72.43 111.271 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.14 149.51 22.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.054 -0.521 . . . . 71.44 111.12 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -101.25 145.98 28.14 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.699 -0.682 . . . . 74.55 110.778 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.2 m -120.82 158.24 28.02 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.217 -0.901 . . . . 65.21 111.223 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.72 135.8 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 116.091 -0.504 . . . . 74.21 112.066 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -23.24 25.94 Favored Glycine 0 C--N 1.336 0.58 0 O-C-N 123.564 0.54 . . . . 73.41 113.167 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.8 m-20 -97.09 152.78 18.44 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 122.399 0.28 . . . . 71.24 111.108 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -86.96 139.8 30.23 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.233 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -129.93 157.02 43.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.09 -0.504 . . . . 65.34 111.343 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.5 OUTLIER -114.53 129.39 56.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.668 -0.696 . . . . 72.44 109.663 178.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.98 115.0 27.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.947 -0.569 . . . . 61.4 110.667 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -92.9 176.16 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 115.692 -0.686 . . . . 73.45 110.68 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -48.01 -35.0 10.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.815 1.043 . . . . 75.13 113.815 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t -120.13 -56.77 1.98 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.756 0.65 . . . . 70.43 112.756 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.1 m-20 -120.24 -161.53 0.88 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.128 0.418 . . . . 75.52 112.128 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.555 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.2 mt -110.28 141.8 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 122.823 0.449 . . . . 75.25 110.033 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 68' ' ' TRP . 11.8 t -120.77 128.35 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 123.53 0.519 . . . . 75.51 110.403 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.4 158.47 26.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.909 -0.587 . . . . 72.41 112.084 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.646 ' O ' HG21 ' A' ' 65' ' ' ILE . 43.3 mt-10 -61.2 -21.68 64.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.009 0.524 . . . . 74.23 111.885 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -67.06 -40.95 87.18 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.666 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.425 ' OD2' ' HB2' ' A' ' 41' ' ' ALA . 8.9 m-20 -110.38 5.82 21.8 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.667 0.618 . . . . 42.3 112.667 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.646 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.56 -53.88 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 113.175 0.805 . . . . 74.41 113.175 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.43 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.1 t80 -59.26 -53.41 58.59 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.661 0.615 . . . . 72.11 112.661 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.577 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.16 -40.45 94.35 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.898 0.703 . . . . 63.44 112.898 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.475 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.8 t-105 -65.5 -50.88 63.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.585 0.354 . . . . 73.13 111.886 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.2 p -62.79 -29.48 70.75 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.972 0.415 . . . . 73.14 111.345 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 38.0 tttm -65.44 -42.15 92.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.124 -0.943 . . . . 74.32 111.893 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.2 mm -84.6 -46.98 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.857 -0.61 . . . . 74.41 111.76 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -76.8 -29.86 56.2 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.664 0.616 . . . . 74.11 112.664 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.641 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.557 179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.469 0.176 . . . . 73.24 110.791 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -106.11 134.18 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 115.948 -0.569 . . . . 72.11 110.0 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -120.21 155.88 32.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.639 -0.71 . . . . 73.44 111.367 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 50' ' ' ASP . 9.6 p -95.69 147.86 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.664 -0.698 . . . . 74.41 110.324 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.59 109.19 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 120.878 0.37 . . . . 74.34 111.345 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.66 168.66 39.17 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.491 -0.777 . . . . 72.13 113.321 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.25 157.5 81.27 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 119.044 -0.503 . . . . 73.12 111.318 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -76.53 136.14 17.09 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.247 1.965 . . . . 72.51 112.67 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -119.72 120.72 37.4 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.949 -0.569 . . . . 74.13 111.165 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.568 ' HA ' ' OE2' ' A' ' 22' ' ' GLU . 2.5 pp -65.54 151.22 46.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.77 -0.65 . . . . 74.54 112.044 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.4 ' HB2' ' OE1' ' A' ' 22' ' ' GLU . 9.4 ttt -65.49 151.26 46.81 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.95 -0.568 . . . . 54.4 111.655 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -145.05 -80.61 0.04 OUTLIER Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.829 -0.623 . . . . 70.51 112.485 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.36 90.16 0.08 OUTLIER Glycine 0 C--N 1.337 0.618 0 C-N-CA 121.408 -0.425 . . . . 74.41 112.61 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -129.15 132.82 47.39 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.645 0.262 . . . . 65.14 110.766 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -128.79 -36.88 1.79 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.89 -0.595 . . . . 72.34 111.479 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.37 -143.49 12.5 Favored Glycine 0 C--N 1.341 0.835 0 O-C-N 123.385 0.428 . . . . 61.51 112.832 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.78 93.19 2.48 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.351 0.596 . . . . 72.42 110.615 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -87.91 -18.73 28.52 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.254 -0.884 . . . . 72.23 112.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.12 -27.13 30.38 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.027 0.38 . . . . 71.35 112.027 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.08 -10.17 53.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.287 0.367 . . . . 75.34 111.881 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.9 -7.78 55.45 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.417 -0.356 . . . . 74.03 111.868 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.81 -39.09 11.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.434 -0.348 . . . . 75.21 111.074 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.9 mp 65.63 127.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.782 0.833 . . . . 74.41 110.969 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.0 p -100.31 150.88 22.12 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.766 -0.652 . . . . 74.35 111.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.17 148.24 24.82 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.896 -0.593 . . . . 73.34 110.946 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.56 149.06 49.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.896 -0.593 . . . . 71.01 110.929 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.57 147.42 50.34 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.924 -0.58 . . . . 74.35 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.37 145.28 37.81 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.662 0.601 . . . . 73.5 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -103.61 -47.53 4.22 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.853 -0.612 . . . . 73.42 111.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 63.32 127.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.951 0.9 . . . . 74.12 112.073 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 N--CA 1.485 1.324 0 C-N-CA 124.016 0.926 . . . . 74.15 112.101 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 111.561 0.208 . . . . 75.44 111.561 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 26.0 t -80.66 109.68 15.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 121.292 0.568 . . . . 74.54 111.102 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.496 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -65.93 -13.25 59.39 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.105 1.15 . . . . 65.22 114.105 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.5 p -92.84 -50.91 5.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.293 0.479 . . . . 73.32 112.293 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.8 p -100.1 6.14 44.94 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 111.831 0.308 . . . . 73.22 111.831 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.5 45.06 5.38 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.556 1.142 . . . . 63.35 112.78 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -120.26 152.1 38.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.491 -0.777 . . . . 75.41 110.446 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -65.56 122.83 18.13 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.899 -0.591 . . . . 73.24 111.754 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.455 HG12 ' NE2' ' A' ' 33' ' ' HIS . 33.9 mt -85.91 98.19 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 109.11 -0.7 . . . . 74.1 109.11 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.6 tmt_? -148.23 157.19 43.35 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.286 -0.87 . . . . 73.25 111.617 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 56.5 -71.18 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.858 1.263 . . . . 73.32 114.382 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' ' HG3' ' A' ' 23' ' ' MET . 5.7 t80 -68.13 -62.76 1.25 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.563 0.345 . . . . 64.44 111.58 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 33.62 -84.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.879 1.272 . . . . 64.3 114.158 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 64.4 mtt 51.31 35.75 14.54 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.944 0.898 . . . . 73.45 112.388 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -123.29 174.05 7.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.599 -0.728 . . . . 74.24 111.292 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.75 162.35 12.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 73.33 111.211 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -88.33 118.68 28.12 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.154 -0.475 . . . . 75.34 111.28 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.3 t -89.48 -179.19 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.613 -0.721 . . . . 71.34 109.615 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' H ' HG12 ' A' ' 27' ' ' VAL . 45.1 mmtt -51.21 -69.41 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.392 0.886 . . . . 71.52 113.392 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -120.38 -38.74 2.86 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.234 0.457 . . . . 72.31 112.234 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.513 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 78.2 mttt -104.52 131.84 51.46 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.231 0.332 . . . . 74.21 111.838 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 7.7 t -101.24 141.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 109.26 -0.644 . . . . 72.34 109.26 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 41.3 m-85 -133.79 147.29 51.24 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.38 -0.373 . . . . 73.03 111.547 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.739 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 39.8 m80 -65.85 164.59 14.55 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.891 -0.595 . . . . 74.32 111.235 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 22' ' ' GLU . 1.3 pp -65.37 -47.52 76.12 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.485 0.184 . . . . 74.42 110.959 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.24 -28.1 68.46 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.912 -0.586 . . . . 74.12 111.273 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 21.0 m -85.98 -8.12 58.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.696 -0.683 . . . . 64.13 111.69 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -90.23 63.36 5.73 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.536 0.684 . . . . 74.33 110.261 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 96.2 mttt -120.74 165.79 14.62 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.06 -0.973 . . . . 74.22 111.138 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 45.1 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.391 -0.368 . . . . 74.45 111.705 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.18 -7.23 45.86 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.755 -0.657 . . . . 65.45 110.9 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB1' ' OD1' ' A' ' 64' ' ' ASP . . . -109.89 -38.04 5.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.616 -0.72 . . . . 62.42 111.733 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m -113.05 -17.23 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.968 0.359 . . . . 72.25 111.968 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 70.14 4.4 4.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.032 0.933 . . . . 74.42 112.1 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -66.09 167.06 10.57 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.316 0.646 . . . . 72.43 111.427 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -96.36 153.19 17.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.444 -0.344 . . . . 71.44 111.305 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 7.5 m-85 -102.55 157.12 17.16 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.648 -0.705 . . . . 74.55 111.108 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.53 152.89 37.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.542 -0.754 . . . . 65.21 111.087 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.7 128.28 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.914 -0.585 . . . . 74.21 112.218 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.89 -17.13 35.86 Favored Glycine 0 C--N 1.337 0.626 0 O-C-N 123.648 0.593 . . . . 73.41 113.241 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' O ' HG21 ' A' ' 88' ' ' VAL . 8.1 m-20 -93.43 154.18 18.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.39 0.276 . . . . 71.24 111.137 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -85.26 135.99 33.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.93 -0.577 . . . . 74.23 111.233 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -124.13 163.33 21.74 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.569 0.543 . . . . 65.34 111.58 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' O ' HG22 ' A' ' 59' ' ' ILE . 11.1 tp -112.94 137.21 51.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.519 -0.764 . . . . 72.44 110.072 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -110.28 108.35 18.42 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.621 -0.881 . . . . 61.4 108.621 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.544 HG13 ' H ' ' A' ' 56' ' ' ASN . 1.1 tp -118.39 175.69 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 116.053 -0.521 . . . . 73.45 110.939 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.544 ' H ' HG13 ' A' ' 55' ' ' ILE . 3.1 m-80 -51.6 -38.42 54.5 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.389 0.676 . . . . 75.13 110.753 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.463 ' H ' HG22 ' A' ' 55' ' ' ILE . 52.6 m -111.63 93.71 4.6 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.979 -1.01 . . . . 70.43 110.301 178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 55' ' ' ILE . 0.5 OUTLIER 43.09 -171.27 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.337 1.455 . . . . 75.52 114.863 179.098 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.7 mp -84.7 133.01 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.02 -0.991 . . . . 75.25 111.626 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.461 ' CG1' HD22 ' A' ' 53' ' ' LEU . 1.1 m -114.58 132.48 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 123.804 0.69 . . . . 75.51 109.7 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.9 p -65.56 160.31 22.69 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.24 0.83 . . . . 72.41 113.24 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.623 ' O ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -60.29 -18.05 46.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.173 0.989 . . . . 74.23 112.832 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.63 -47.17 76.52 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.051 0.389 . . . . 75.13 112.051 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.415 ' OD1' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -110.96 15.37 21.78 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.411 0.522 . . . . 42.3 112.411 -179.496 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -54.97 -53.39 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 112.894 0.702 . . . . 74.41 112.894 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.6 t80 -59.9 -52.75 64.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.444 0.465 . . . . 72.11 112.023 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.579 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.1 mt-10 -65.39 -38.15 89.13 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.517 0.562 . . . . 63.44 112.517 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.453 ' HE1' HG21 ' A' ' 55' ' ' ILE . 48.7 t-105 -65.42 -51.85 57.39 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.708 0.403 . . . . 73.13 111.504 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.1 p -64.43 -29.67 70.72 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.022 0.439 . . . . 73.14 111.282 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 29.8 tttp -65.71 -43.14 90.03 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.162 -0.926 . . . . 74.32 111.842 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 67' ' ' GLU . 16.5 mm -85.24 -47.15 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.078 -0.51 . . . . 74.41 111.928 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -79.22 -30.0 43.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.847 0.684 . . . . 74.11 112.847 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.617 0 C-N-CA 121.297 -0.477 . . . . 72.21 112.514 -179.927 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.599 0.238 . . . . 73.24 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.36 148.98 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 115.898 -0.592 . . . . 72.11 109.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -111.97 142.07 44.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.841 -0.618 . . . . 73.44 110.836 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.7 t -97.89 142.05 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 123.583 0.552 . . . . 74.41 110.502 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 50' ' ' ASP . 4.9 t -65.36 110.26 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.796 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.27 154.98 51.52 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.74 -0.664 . . . . 72.13 113.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.35 112.12 8.43 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 122.839 0.455 . . . . 73.12 111.803 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.0 160.19 45.58 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.517 2.145 . . . . 72.51 112.823 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -104.04 115.81 31.09 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.561 0.538 . . . . 74.13 111.209 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.95 135.33 54.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.741 -0.663 . . . . 74.54 111.832 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.71 91.48 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.954 -0.566 . . . . 54.4 111.847 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.11 100.63 2.22 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.502 0.501 . . . . 70.51 112.498 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.19 -130.43 2.58 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.409 -0.424 . . . . 74.41 112.546 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.56 123.95 44.3 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.691 0.289 . . . . 65.14 111.139 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -98.48 82.42 2.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.785 -0.643 . . . . 72.34 110.515 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.46 82.06 0.3 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.104 -0.953 . . . . 61.51 112.578 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.55 12.41 33.56 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.76 0.314 . . . . 72.42 111.396 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.11 -30.25 19.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.109 -0.496 . . . . 72.23 111.773 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.66 -27.64 26.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.119 0.414 . . . . 71.35 112.119 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.17 -24.72 24.37 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.175 0.435 . . . . 75.34 112.175 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.17 -37.15 12.89 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.267 0.354 . . . . 74.03 111.742 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.6 tp -92.84 -34.94 13.64 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.39 0.431 . . . . 75.21 111.348 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.8 pp 43.9 105.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 124.782 1.233 . . . . 74.41 113.74 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.4 p -115.98 -44.86 2.89 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.593 -0.731 . . . . 74.35 111.371 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -115.86 144.64 43.74 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.502 0.501 . . . . 73.34 110.6 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 pp -112.36 152.22 28.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.878 -0.601 . . . . 71.01 111.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.5 126.41 44.05 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.864 -0.607 . . . . 74.35 110.641 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -130.19 148.87 52.08 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.85 -0.614 . . . . 73.5 110.65 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 p -99.63 124.86 45.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 73.42 111.088 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -111.36 146.64 36.75 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.928 -0.578 . . . . 74.12 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 115.899 -0.591 . . . . 74.15 110.974 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.494 HD21 ' C ' ' A' ' 16' ' ' LYS . 5.0 mp . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 112.14 0.422 . . . . 75.44 112.14 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 43.0 t -66.36 120.9 14.11 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 121.306 0.575 . . . . 74.54 111.128 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -65.84 -15.05 62.55 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.804 -1.089 . . . . 65.22 113.191 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -98.23 -40.46 8.35 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.127 0.417 . . . . 73.32 112.127 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 m -97.92 -26.74 14.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.683 0.623 . . . . 73.22 112.683 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 66.05 31.02 9.26 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 63.35 110.621 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' C ' HD21 ' A' ' 10' ' ' LEU . 90.4 mttt -103.31 156.42 17.75 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.216 -0.902 . . . . 75.41 110.359 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.2 108.95 2.04 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.06 -0.518 . . . . 73.24 110.943 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.531 HG21 ' OE2' ' A' ' 22' ' ' GLU . 10.3 mt -73.89 97.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.495 -0.557 . . . . 74.1 109.495 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -148.92 166.87 27.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.431 -0.804 . . . . 73.25 112.04 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 35.92 -76.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.523 1.675 . . . . 73.32 115.523 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -69.04 7.43 0.71 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.097 0.559 . . . . 64.44 112.219 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.605 ' OE1' ' HA ' ' A' ' 33' ' ' HIS . 1.8 mm-40 -88.76 83.66 6.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 123.883 1.801 . . . . 64.3 111.721 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.876 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 19.1 mmt -100.44 82.39 2.47 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 110.237 -3.165 . . . . 73.45 104.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.4 t -157.66 -172.82 4.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.41 -0.813 . . . . 74.24 112.261 -172.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.526 ' HB2' ' N ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -113.78 165.43 12.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.386 -0.825 . . . . 73.33 111.85 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.703 ' H ' ' H ' ' A' ' 90' ' ' GLU . 46.5 mtt180 -105.95 130.73 53.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.942 -0.572 . . . . 75.34 110.758 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.492 HG11 ' H ' ' A' ' 28' ' ' LYS . 1.6 t -92.28 -178.93 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.658 -0.701 . . . . 71.34 109.795 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' H ' HG11 ' A' ' 27' ' ' VAL . 30.0 mtpt -47.09 -62.05 1.6 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.745 1.017 . . . . 71.52 113.745 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -38.75 2.85 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.119 0.414 . . . . 72.31 112.119 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -99.52 155.06 17.77 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.457 0.473 . . . . 74.21 111.641 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 6.7 t -120.07 141.15 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 109.087 -0.708 . . . . 72.34 109.087 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 77.7 m-85 -131.72 151.24 51.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.26 0.35 . . . . 73.03 111.669 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.842 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 45.1 m80 -65.45 171.22 4.15 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.208 0.603 . . . . 74.32 111.377 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.598 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.7 pp -65.24 -46.1 81.92 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 120.749 0.309 . . . . 74.42 111.009 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -66.3 -21.25 66.26 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.692 -0.685 . . . . 74.12 111.052 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.842 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 3.7 m -94.82 5.82 50.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.26 -0.882 . . . . 64.13 111.594 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HZ ' ' CE1' ' A' ' 52' ' ' TYR . 13.7 t80 -122.41 64.0 0.95 Allowed 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.372 0.606 . . . . 74.33 110.224 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -120.57 159.5 25.11 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.577 -0.738 . . . . 74.22 111.534 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 21.0 t -66.06 146.69 54.38 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.859 -0.609 . . . . 74.45 111.719 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.99 -3.74 58.88 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.662 0.616 . . . . 65.45 112.662 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HB1' ' CG ' ' A' ' 64' ' ' ASP . . . -117.16 -47.56 2.67 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.161 0.43 . . . . 62.42 112.161 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.6 p -109.11 -6.76 15.49 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.033 0.382 . . . . 72.25 112.033 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 15.4 mm-40 63.16 16.35 9.3 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.994 0.918 . . . . 74.42 113.196 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.609 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.0 tttp -65.73 161.76 20.04 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.642 0.377 . . . . 72.43 111.777 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -96.87 154.34 17.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.798 -0.637 . . . . 71.44 110.78 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.45 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 20.2 m-85 -110.93 146.64 36.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 74.55 111.295 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.465 ' O ' HG21 ' A' ' 88' ' ' VAL . 51.7 m -121.59 161.53 22.23 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.779 -1.1 . . . . 65.21 111.407 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 m -65.53 129.11 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 112.602 0.594 . . . . 74.21 112.602 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.73 6.36 37.93 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.71 -0.677 . . . . 73.41 113.552 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.542 ' O ' HG22 ' A' ' 88' ' ' VAL . 3.4 t70 -115.25 154.72 28.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.77 0.285 . . . . 71.24 110.874 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -97.43 130.2 44.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.86 -0.609 . . . . 74.23 110.518 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CE1' ' HZ ' ' A' ' 37' ' ' PHE . 44.6 p90 -126.04 157.46 37.88 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.378 0.424 . . . . 65.34 111.682 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.75 130.66 56.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.371 -0.832 . . . . 72.44 109.801 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.56 105.74 17.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.983 -0.553 . . . . 61.4 110.141 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -86.64 176.1 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.63 -0.713 . . . . 73.45 110.954 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.3 m-80 -47.93 -35.81 11.28 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.673 0.99 . . . . 75.13 113.673 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.0 t -105.52 -75.28 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.969 0.359 . . . . 70.43 111.969 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.48 -166.41 1.32 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.252 0.221 . . . . 75.52 111.592 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -89.94 142.79 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.846 0.459 . . . . 75.25 110.419 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.3 118.57 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 O-C-N 123.6 0.562 . . . . 75.51 109.994 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.3 p -60.75 159.58 10.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.268 -0.424 . . . . 72.41 112.026 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 65' ' ' ILE . 42.4 mt-10 -64.38 -18.4 64.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.824 -0.625 . . . . 74.23 112.678 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -51.94 53.11 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.194 0.442 . . . . 75.13 112.194 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.403 ' CG ' ' HB1' ' A' ' 41' ' ' ALA . 2.1 p30 -110.77 15.13 22.08 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.756 0.65 . . . . 42.3 112.756 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.08 -49.06 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.77 0.656 . . . . 74.41 112.77 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.549 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 63.7 t80 -57.88 -53.42 58.43 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.965 0.728 . . . . 72.11 112.965 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.29 -39.03 92.01 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.261 0.467 . . . . 63.44 112.261 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.452 ' HE1' HG12 ' A' ' 55' ' ' ILE . 51.2 t-105 -65.47 -45.85 82.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.834 0.453 . . . . 73.13 111.283 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.6 p -62.98 -29.72 71.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.988 -0.551 . . . . 73.14 111.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 66' ' ' TYR . 41.7 mtmt -65.73 -40.87 92.61 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.917 -0.583 . . . . 74.32 112.177 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.2 mm -84.31 -47.03 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.568 -0.742 . . . . 74.41 111.904 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -79.81 -29.97 40.37 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.811 0.671 . . . . 74.11 112.811 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.621 0 C-N-CA 121.315 -0.469 . . . . 72.21 112.64 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.493 0.187 . . . . 73.24 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.549 ' O ' ' HE3' ' A' ' 86' ' ' MET . 4.6 t -125.58 137.05 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 115.835 -0.621 . . . . 72.11 109.904 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.549 ' HE3' ' O ' ' A' ' 85' ' ' VAL . 38.4 mmt -110.07 139.88 44.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.703 -0.681 . . . . 73.44 110.743 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.81 150.11 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 115.794 -0.639 . . . . 74.41 111.021 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 50' ' ' ASP . 58.4 t -58.41 109.96 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.795 -0.639 . . . . 74.34 111.008 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.526 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.28 -120.51 0.01 OUTLIER Glycine 0 C--N 1.345 1.052 0 CA-C-N 114.989 -1.005 . . . . 72.13 115.266 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.703 ' H ' ' H ' ' A' ' 26' ' ' ARG . 6.8 mm-40 -52.84 168.9 0.31 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 124.236 1.014 . . . . 73.12 113.034 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -96.91 170.48 0.89 Allowed 'Trans proline' 0 C--N 1.375 1.958 0 N-CA-C 117.686 2.148 . . . . 72.51 117.686 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 23' ' ' MET . 29.7 p -100.2 167.04 10.69 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 110.507 -3.042 . . . . 74.13 105.984 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.876 ' H ' ' HB3' ' A' ' 23' ' ' MET . 1.5 pp -38.77 97.87 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.405 1.097 . . . . 74.54 113.54 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 37.2 mtt -65.92 -43.87 86.82 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 113.529 -1.669 . . . . 54.4 112.18 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.6 -102.14 0.2 Allowed Glycine 0 C--N 1.34 0.803 0 O-C-N 123.535 0.522 . . . . 70.51 112.479 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.0 -68.97 0.02 OUTLIER Glycine 0 C--N 1.337 0.632 0 C-N-CA 121.382 -0.437 . . . . 74.41 112.677 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.88 144.2 28.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.282 0.233 . . . . 65.14 111.067 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -130.39 -44.56 1.12 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.878 -0.601 . . . . 72.34 111.237 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.39 141.61 12.44 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.361 0.413 . . . . 61.51 112.499 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -136.89 87.79 2.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.266 0.555 . . . . 72.42 110.883 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.28 -19.28 26.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.334 -0.848 . . . . 72.23 111.955 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.66 -17.22 39.26 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.429 0.529 . . . . 71.35 112.429 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -86.18 -18.42 32.24 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.211 0.449 . . . . 75.34 112.211 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -88.17 -29.44 20.52 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 111.949 0.351 . . . . 74.03 111.949 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.3 tt -93.84 -39.85 10.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.334 -0.394 . . . . 75.21 111.036 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.1 pp 44.52 112.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 124.986 1.314 . . . . 74.41 114.119 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.1 p -125.14 143.5 50.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.579 -0.737 . . . . 74.35 111.024 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -109.66 149.6 29.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.984 -0.553 . . . . 73.34 110.999 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.85 140.09 50.2 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.844 -0.616 . . . . 71.01 110.98 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.83 147.31 37.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.902 -0.59 . . . . 74.35 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -108.62 150.19 27.86 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.846 -0.616 . . . . 73.5 110.885 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.3 p -98.4 -52.74 3.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.065 -0.516 . . . . 73.42 111.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 61.47 125.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.926 0.891 . . . . 74.12 112.115 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--O 1.237 0.397 0 CA-C-N 115.858 -0.61 . . . . 74.15 110.539 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 110.513 -0.18 . . . . 75.44 110.513 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.578 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 49.9 t -62.63 129.52 40.93 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.535 0.569 . . . . 74.54 112.535 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.02 -29.23 69.55 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.862 -1.063 . . . . 65.22 112.833 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -92.84 -53.71 4.05 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.266 0.354 . . . . 73.32 111.546 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 3.2 p -106.85 160.95 15.12 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.177 0.298 . . . . 73.22 110.747 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.62 55.41 3.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.315 0.579 . . . . 63.35 110.718 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 89.0 mttt -120.81 129.57 53.62 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.512 -0.767 . . . . 75.41 110.929 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.57 132.66 49.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.945 -0.57 . . . . 73.24 111.49 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.1 mt -74.2 129.91 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 116.086 -0.506 . . . . 74.1 110.026 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.461 ' H ' ' CG ' ' A' ' 22' ' ' GLU . 26.3 mmt180 -130.61 -174.41 3.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.174 -0.467 . . . . 73.25 111.894 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 23' ' ' MET . . . -56.37 -45.41 80.53 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.372 0.878 . . . . 73.32 113.372 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -71.81 -32.51 67.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.753 0.311 . . . . 64.44 110.604 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.653 ' O ' HD21 ' A' ' 34' ' ' LEU . 5.5 mm-40 -60.11 -34.14 73.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.469 -0.787 . . . . 64.3 112.553 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 73.6 mtm 33.88 104.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.481 1.112 . . . . 73.45 113.218 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 p -123.34 139.82 53.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 74.24 112.0 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.609 ' SD ' HG21 ' A' ' 27' ' ' VAL . 2.0 ppp? -95.58 167.67 11.16 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.187 -0.915 . . . . 73.33 110.81 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.11 110.93 18.87 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.925 0.393 . . . . 75.34 111.127 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.609 HG21 ' SD ' ' A' ' 25' ' ' MET . 1.6 t -96.96 -178.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.572 -0.74 . . . . 71.34 109.562 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.527 ' H ' HG13 ' A' ' 27' ' ' VAL . 97.8 mttt -52.8 -69.66 0.11 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.728 0.64 . . . . 71.52 112.728 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.83 -42.44 2.51 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.051 0.389 . . . . 72.31 112.051 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.6 mttt -112.26 143.18 43.76 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.348 0.405 . . . . 74.21 111.952 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.3 t -101.01 145.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 115.678 -0.692 . . . . 72.34 109.2 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 33.3 m-85 -133.55 152.22 51.86 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.285 0.476 . . . . 73.03 112.285 -178.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m170 -65.66 159.29 25.21 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.387 -0.824 . . . . 74.32 112.212 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.653 HD21 ' O ' ' A' ' 22' ' ' GLU . 3.1 pp -66.1 -47.87 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 110.314 -0.254 . . . . 74.42 110.314 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.49 -32.98 74.88 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.522 . . . . 74.12 111.46 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.9 m -84.08 -4.0 58.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.921 -0.581 . . . . 64.13 111.647 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 22.3 t80 -94.62 60.18 2.54 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.491 0.663 . . . . 74.33 109.794 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.9 mttt -120.14 164.13 16.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.149 -0.932 . . . . 74.22 111.326 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 31.0 t -65.99 147.08 53.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.821 0.448 . . . . 74.45 111.873 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.88 -5.02 57.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.996 -0.547 . . . . 65.45 111.268 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.78 -40.93 3.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.836 -0.62 . . . . 62.42 111.672 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 m -105.77 -19.03 13.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.388 0.43 . . . . 72.25 111.906 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 69.41 2.51 3.75 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.073 0.949 . . . . 74.42 112.031 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -66.32 163.82 17.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.133 0.573 . . . . 72.43 111.231 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -94.81 152.41 18.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.291 -0.413 . . . . 71.44 111.374 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 8.6 m-85 -101.55 145.4 29.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.514 -0.766 . . . . 74.55 111.139 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.7 t -120.77 159.43 25.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.259 -0.882 . . . . 65.21 110.989 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 88' ' ' VAL . 4.0 m -65.77 143.18 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.086 -0.506 . . . . 74.21 112.253 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -33.65 6.15 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 123.616 0.572 . . . . 73.41 113.197 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.02 148.64 22.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.316 0.246 . . . . 71.24 111.377 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.23 143.43 31.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.751 -0.659 . . . . 74.23 111.011 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -130.81 155.21 47.08 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.304 0.377 . . . . 65.34 111.713 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.4 tp -111.5 132.52 54.44 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.7 -0.682 . . . . 72.44 109.651 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -95.93 111.24 23.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.912 -0.585 . . . . 61.4 110.297 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.23 175.98 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.763 -0.653 . . . . 73.45 110.786 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -48.06 -35.09 10.57 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.797 1.036 . . . . 75.13 113.797 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.2 m -120.15 -56.13 2.02 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.867 0.692 . . . . 70.43 112.867 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 55' ' ' ILE . 7.6 m-20 -120.23 -162.33 0.93 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.007 0.373 . . . . 75.52 112.007 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -109.93 143.36 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.932 0.493 . . . . 75.25 109.827 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 68' ' ' TRP . 6.0 t -120.35 126.33 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 123.488 0.493 . . . . 75.51 110.024 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.3 158.59 25.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.107 -0.497 . . . . 72.41 112.175 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.59 -18.21 28.2 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.299 0.851 . . . . 74.23 113.299 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -65.74 -52.25 52.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.286 0.476 . . . . 75.13 112.286 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.66 15.34 22.05 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.049 0.388 . . . . 42.3 112.049 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.46 -47.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.123 0.569 . . . . 74.41 112.392 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.42 -51.67 58.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.921 0.488 . . . . 72.11 111.879 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.625 ' O ' HD12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -64.39 -45.05 89.32 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.615 0.598 . . . . 63.44 112.615 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.418 ' CD1' HG21 ' A' ' 60' ' ' VAL . 52.9 t-105 -60.94 -45.81 93.2 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.557 0.343 . . . . 73.13 111.807 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 p -67.03 -28.79 68.52 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.178 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.46 -43.5 94.05 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.058 -0.974 . . . . 74.32 111.985 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 67' ' ' GLU . 2.8 mp -84.86 -47.4 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.382 0.426 . . . . 74.41 111.834 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -74.68 -29.85 61.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.896 0.702 . . . . 74.11 112.896 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.602 0 C-N-CA 121.282 -0.485 . . . . 72.21 112.543 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.467 0.175 . . . . 73.24 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.54 143.62 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 115.893 -0.594 . . . . 72.11 109.886 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.1 mtt -120.11 152.79 37.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.944 -0.571 . . . . 73.44 111.621 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.74 152.81 3.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.603 -0.726 . . . . 74.41 110.411 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -65.33 112.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.907 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.421 ' H ' ' HE1' ' A' ' 25' ' ' MET . . . -65.86 144.18 46.3 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 115.596 -0.729 . . . . 72.13 113.789 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.05 114.57 17.14 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.947 0.499 . . . . 73.12 111.453 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.62 151.76 83.54 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.564 2.176 . . . . 72.51 112.95 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.5 p -120.04 118.27 30.18 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.98 -0.555 . . . . 74.13 111.245 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.457 HD21 ' N ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -65.89 146.77 54.34 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.853 -0.612 . . . . 74.54 111.598 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.457 ' N ' HD21 ' A' ' 93' ' ' LEU . 88.6 mtp -65.53 -44.45 86.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.116 -0.493 . . . . 54.4 112.259 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.4 ' H ' HD21 ' A' ' 93' ' ' LEU . . . 110.75 77.09 0.88 Allowed Glycine 0 C--N 1.34 0.751 0 O-C-N 123.453 0.471 . . . . 70.51 112.542 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.97 112.84 0.94 Allowed Glycine 0 C--N 1.338 0.668 0 C-N-CA 121.413 -0.423 . . . . 74.41 112.492 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.85 23.85 6.14 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.932 0.396 . . . . 65.14 111.35 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -101.05 98.4 8.85 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.884 -0.598 . . . . 72.34 110.834 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.93 76.55 0.11 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.43 -0.805 . . . . 61.51 112.525 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.26 10.53 15.98 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.71 0.29 . . . . 72.42 111.469 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 -41.32 13.19 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.072 -0.513 . . . . 72.23 111.784 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.57 -20.76 30.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.146 -0.479 . . . . 71.35 112.177 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -87.08 -25.12 24.33 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.97 0.359 . . . . 75.34 111.97 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.08 -14.58 27.11 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.182 0.438 . . . . 74.03 112.182 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.57 -66.46 0.91 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.084 0.24 . . . . 75.21 111.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.432 HD11 ' O ' ' A' ' 106' ' ' ILE . 1.9 pp -150.38 136.11 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.445 0.298 . . . . 74.41 111.509 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -129.42 117.88 21.26 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.877 -0.601 . . . . 74.35 110.906 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -132.93 147.92 52.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.867 -0.606 . . . . 73.34 110.685 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 pp -130.54 140.61 50.48 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.816 -0.629 . . . . 71.01 110.987 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -128.48 146.62 50.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.051 -0.522 . . . . 74.35 110.962 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 62.87 125.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.935 0.894 . . . . 73.5 112.134 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -106.12 140.69 38.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.828 -0.623 . . . . 73.42 111.02 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -128.11 146.2 50.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.965 -0.561 . . . . 74.12 110.937 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.235 0.296 0 CA-C-N 115.808 -0.633 . . . . 74.15 110.996 179.888 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 111.265 0.098 . . . . 75.44 111.265 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.584 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 38.6 t -68.88 134.36 49.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.135 0.493 . . . . 74.54 112.307 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.529 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.02 -34.72 78.74 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.93 -1.032 . . . . 65.22 112.694 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 t -89.56 -53.72 4.4 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.351 0.407 . . . . 73.32 111.511 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.584 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.6 p -102.41 154.53 18.99 Favored 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.177 0.298 . . . . 73.22 110.66 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.38 52.21 2.3 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.356 0.598 . . . . 63.35 110.796 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -120.79 133.16 55.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.508 -0.769 . . . . 75.41 110.226 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -65.26 128.4 35.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.4 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 18' ' ' ILE . 11.3 mt -71.96 98.66 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.222 0.534 . . . . 74.1 109.861 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' TYR . 77.7 mtp180 -148.39 152.79 37.62 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.226 -0.897 . . . . 73.25 111.391 -178.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 46.64 -73.23 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.796 1.238 . . . . 73.32 113.964 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.525 ' HD1' ' O ' ' A' ' 21' ' ' TYR . 1.2 t80 -84.66 27.73 0.71 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.553 0.692 . . . . 64.44 111.183 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -63.99 0.98 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.6 -0.727 . . . . 64.3 111.404 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.519 ' O ' HD13 ' A' ' 34' ' ' LEU . 62.9 mtt 36.85 46.89 0.52 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.467 1.107 . . . . 73.45 112.927 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.51 ' HG1' ' H ' ' A' ' 25' ' ' MET . 4.8 t -119.34 165.93 13.68 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.544 -0.753 . . . . 74.24 111.689 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.51 ' H ' ' HG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -110.44 165.41 11.81 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.353 -0.839 . . . . 73.33 110.731 178.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -85.03 118.0 24.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.821 0.343 . . . . 75.34 111.577 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.519 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.4 t -94.85 -178.86 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.413 -0.812 . . . . 71.34 109.461 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.592 ' HE2' ' SD ' ' A' ' 86' ' ' MET . 62.1 mttm -44.85 -64.57 0.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.972 1.101 . . . . 71.52 113.972 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.44 -43.2 2.51 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.492 0.553 . . . . 72.31 112.492 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 68.1 mttt -117.47 156.23 28.35 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.248 0.342 . . . . 74.21 111.842 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 25' ' ' MET . 4.3 t -105.82 147.55 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.8 -0.636 . . . . 72.34 109.817 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 46.1 m-85 -130.5 141.06 50.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.155 -0.475 . . . . 73.03 111.456 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.703 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.2 m80 -65.74 164.96 13.54 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.807 0.443 . . . . 74.32 110.837 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 23' ' ' MET . 4.7 mp -65.14 -49.73 68.74 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.705 0.288 . . . . 74.42 110.522 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.4 -26.0 67.04 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.675 -0.693 . . . . 74.12 111.513 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.703 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -90.12 -7.69 53.11 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.756 -0.656 . . . . 64.13 111.841 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -91.11 55.71 2.95 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.38 0.61 . . . . 74.33 110.674 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.11 160.41 23.76 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.308 -0.86 . . . . 74.22 111.669 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.4 t -66.26 146.96 54.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.905 -0.588 . . . . 74.45 111.555 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -5.78 38.47 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.041 -0.527 . . . . 65.45 111.974 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -103.29 -50.02 3.58 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.853 0.316 . . . . 62.42 111.853 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.6 p -108.48 -4.65 17.09 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.196 0.31 . . . . 72.25 111.663 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.4 mm-40 65.09 11.1 6.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.195 0.998 . . . . 74.42 113.069 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 33.9 tttp -66.07 161.72 21.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.607 0.363 . . . . 72.43 111.305 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -101.65 150.97 22.56 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.939 -0.573 . . . . 71.44 110.888 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.458 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 23.8 m-85 -104.34 138.43 40.78 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.665 -0.698 . . . . 74.55 110.9 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -120.54 164.42 16.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.455 -0.793 . . . . 65.21 110.861 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.51 137.33 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.831 0.452 . . . . 74.21 112.125 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -29.42 10.26 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 115.847 -0.615 . . . . 73.41 113.066 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -93.05 152.13 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.412 0.285 . . . . 71.24 111.143 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 12.2 ptp180 -88.22 135.84 33.26 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.921 -0.581 . . . . 74.23 111.613 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -123.41 153.47 40.37 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.941 -0.572 . . . . 65.34 111.237 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 tt -116.05 126.89 54.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.579 -0.737 . . . . 72.44 109.747 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -88.82 113.31 24.24 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.893 -0.594 . . . . 61.4 110.884 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.607 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.38 176.23 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 115.712 -0.676 . . . . 73.45 110.666 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -47.87 -34.65 9.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.9 1.074 . . . . 75.13 113.9 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.6 m -120.1 -57.49 1.94 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.965 0.728 . . . . 70.43 112.965 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.4 m-20 -120.26 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.08 0.4 . . . . 75.52 112.08 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -106.23 137.1 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 122.856 0.463 . . . . 75.25 109.859 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' A' ' 68' ' ' TRP . 15.8 t -120.83 126.73 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.099 -0.5 . . . . 75.51 110.417 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.19 160.14 22.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.851 -0.613 . . . . 72.41 111.858 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.6 tt0 -63.84 -19.86 65.36 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.66 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -67.1 -42.27 84.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.268 -0.424 . . . . 75.13 111.762 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD2' ' HB3' ' A' ' 41' ' ' ALA . 1.7 m-20 -110.64 7.09 22.21 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.628 0.603 . . . . 42.3 112.628 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.43 -54.53 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.219 0.822 . . . . 74.41 113.219 -178.497 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.3 t80 -58.05 -53.68 55.54 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.728 0.64 . . . . 72.11 112.728 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.14 -39.87 93.61 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.698 0.629 . . . . 63.44 112.698 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.407 ' CD1' HG21 ' A' ' 60' ' ' VAL . 56.3 t-105 -65.38 -49.41 69.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.565 0.346 . . . . 73.13 111.444 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -64.13 -29.12 70.27 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.093 0.473 . . . . 73.14 111.08 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 45.2 tttt -65.11 -42.62 93.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.039 -0.982 . . . . 74.32 111.901 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.9 mm -84.64 -46.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 115.768 -0.651 . . . . 74.41 111.865 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.39 -29.99 53.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.76 0.652 . . . . 74.11 112.76 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.584 0 C-N-CA 121.365 -0.445 . . . . 72.21 112.624 -179.854 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.234 0.271 0 CA-C-O 120.542 0.21 . . . . 73.24 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -124.72 139.34 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 115.914 -0.585 . . . . 72.11 109.953 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.592 ' SD ' ' HE2' ' A' ' 28' ' ' LYS . 86.8 mtp -120.08 153.31 36.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.865 -0.607 . . . . 73.44 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -91.46 153.03 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.829 -0.623 . . . . 74.41 110.371 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.1 110.34 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.786 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.09 150.62 51.9 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 115.646 -0.706 . . . . 72.13 113.767 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.84 120.03 65.7 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.001 0.52 . . . . 73.12 111.664 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' MET . 14.7 Cg_exo -69.8 150.56 68.16 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 72.51 112.916 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.25 111.73 18.16 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.595 0.559 . . . . 74.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 93' ' ' LEU . 2.3 pp -66.03 125.17 24.61 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.871 -0.604 . . . . 74.54 112.08 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 64.5 mtt 40.73 -83.03 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.844 1.258 . . . . 54.4 113.87 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.35 -53.63 0.13 Allowed Glycine 0 C--N 1.343 0.933 0 C-N-CA 121.59 -0.338 . . . . 70.51 112.482 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.6 120.16 1.53 Allowed Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.544 -0.36 . . . . 74.41 112.456 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.76 149.86 24.61 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.617 0.245 . . . . 65.14 111.216 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -106.5 -43.63 4.7 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.87 -0.605 . . . . 72.34 111.194 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.03 -98.55 1.11 Allowed Glycine 0 C--N 1.341 0.83 0 O-C-N 123.402 0.439 . . . . 61.51 112.671 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 9.6 m-20 59.8 103.83 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.876 0.871 . . . . 72.42 111.812 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -88.23 -18.96 27.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.483 -0.781 . . . . 72.23 112.163 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.54 -21.79 30.35 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.299 0.481 . . . . 71.35 112.299 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.2 -35.23 18.68 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.013 0.375 . . . . 75.34 112.013 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.0 ptm180 -86.45 -10.54 53.99 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.508 0.559 . . . . 74.03 112.508 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 1.6 tt -95.6 -46.49 6.62 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.085 0.241 . . . . 75.21 111.109 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.448 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.9 pp -143.41 130.63 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.295 0.372 . . . . 74.41 111.348 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.2 t -146.49 127.11 14.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.834 -0.621 . . . . 74.35 110.923 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -131.88 124.35 29.34 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.833 -0.621 . . . . 73.34 110.847 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.98 151.38 51.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.76 -0.654 . . . . 71.01 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -97.76 139.45 33.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.861 -0.609 . . . . 74.35 110.852 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 45.35 104.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.769 1.228 . . . . 73.5 113.33 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -114.07 153.5 29.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.643 -0.708 . . . . 73.42 111.238 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 63.13 126.28 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.965 0.906 . . . . 74.12 112.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--O 1.235 0.318 0 CA-C-N 115.721 -0.672 . . . . 74.15 110.424 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 16' ' ' LYS . 2.5 mp . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 111.985 0.365 . . . . 75.44 111.985 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 49.6 t -76.17 119.1 19.62 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 121.054 0.454 . . . . 74.54 110.424 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -65.67 -15.85 63.18 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.543 0.942 . . . . 65.22 113.543 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -97.62 -39.02 9.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.989 0.366 . . . . 73.32 111.989 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.3 m -92.8 -23.79 18.74 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.254 0.465 . . . . 73.22 112.254 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.78 30.24 16.71 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.574 0.702 . . . . 63.35 110.079 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' C ' HD23 ' A' ' 10' ' ' LEU . 68.6 mmtt -113.05 153.43 28.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.859 -1.064 . . . . 75.41 110.802 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -65.51 115.23 5.52 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.886 -0.597 . . . . 73.24 111.077 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.2 mt -74.43 97.32 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.261 -0.644 . . . . 74.1 109.261 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -148.34 179.8 7.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.85 -1.068 . . . . 73.25 111.844 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 53.25 -80.72 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.844 1.258 . . . . 73.32 113.874 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.0 t80 -75.98 -56.14 4.94 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 122.499 0.32 . . . . 64.44 110.683 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.578 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 28.66 -83.21 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.179 1.392 . . . . 64.3 114.741 179.133 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.9 mtt 49.11 48.92 20.34 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.018 0.927 . . . . 73.45 111.747 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.6 p -126.02 164.0 21.8 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.485 -0.779 . . . . 74.24 112.297 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -96.83 169.15 10.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.388 -0.824 . . . . 73.33 110.616 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -87.98 120.08 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.76 0.315 . . . . 75.34 111.192 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.7 t -93.45 -179.26 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.692 -0.685 . . . . 71.34 109.542 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.0 mttt -53.74 -69.95 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.042 0.756 . . . . 71.52 113.042 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.65 -40.78 2.62 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.091 0.404 . . . . 72.31 112.091 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.8 mttt -107.15 136.6 46.72 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.409 0.443 . . . . 74.21 111.994 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 17.3 t -104.46 144.42 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.97 -0.752 . . . . 72.34 108.97 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' O ' HG23 ' A' ' 24' ' ' THR . 23.6 m-85 -132.82 151.47 52.01 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.236 -0.438 . . . . 73.03 111.15 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.876 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 47.1 m80 -65.49 161.33 20.29 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.674 0.39 . . . . 74.32 110.464 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -61.56 -45.23 95.03 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 111.563 0.208 . . . . 74.42 111.563 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.25 -21.75 66.3 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.284 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.876 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 5.5 m -91.8 -6.34 51.91 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.626 -0.715 . . . . 64.13 111.691 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.85 55.56 2.43 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.478 0.656 . . . . 74.33 110.071 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -120.85 160.66 22.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.165 -0.925 . . . . 74.22 111.627 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 38.1 t -66.11 147.08 53.88 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.194 0.598 . . . . 74.45 111.688 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.75 -7.98 32.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.018 -0.537 . . . . 65.45 111.941 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.427 ' HB1' ' OD2' ' A' ' 64' ' ' ASP . . . -99.98 -48.62 4.6 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.958 0.355 . . . . 62.42 111.958 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 24.5 p -113.39 -2.58 13.93 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.187 0.304 . . . . 72.25 111.809 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.3 mm-40 64.86 12.82 8.07 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.098 0.959 . . . . 74.42 113.095 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.589 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.8 tttt -65.99 162.54 19.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.593 0.357 . . . . 72.43 111.378 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.9 152.74 19.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.988 -0.551 . . . . 71.44 111.104 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 20.8 m-85 -105.15 143.24 33.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.723 -0.671 . . . . 74.55 111.073 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 m -120.76 160.47 23.29 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.396 -0.82 . . . . 65.21 111.259 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.8 133.69 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 116.053 -0.521 . . . . 74.21 112.339 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.06 -23.05 26.29 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.997 -0.547 . . . . 73.41 113.515 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -94.26 150.66 20.09 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.761 0.281 . . . . 71.24 111.346 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.67 139.43 31.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.853 -0.612 . . . . 74.23 110.917 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -132.36 156.28 46.9 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.421 0.451 . . . . 65.34 111.795 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.62 127.45 55.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.572 -0.74 . . . . 72.44 109.418 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.76 114.83 27.48 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.981 -0.554 . . . . 61.4 110.543 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -90.44 176.22 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.691 -0.686 . . . . 73.45 110.73 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -47.96 -34.53 9.33 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.813 1.042 . . . . 75.13 113.813 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -120.11 -56.62 1.99 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.916 0.71 . . . . 70.43 112.916 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.583 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.2 m-20 -120.28 -163.49 1.01 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.058 0.392 . . . . 75.52 112.058 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.1 mp -109.93 143.79 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 122.723 0.409 . . . . 75.25 110.097 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.504 HG22 ' CD1' ' A' ' 68' ' ' TRP . 11.0 t -120.2 128.92 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.926 -0.579 . . . . 75.51 109.903 179.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.19 159.44 23.59 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.917 -0.583 . . . . 72.41 112.222 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.639 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.5 mt-10 -60.57 -22.8 64.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.005 -0.543 . . . . 74.23 111.746 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.05 -41.48 86.43 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.209 -0.45 . . . . 75.13 111.766 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.427 ' OD2' ' HB1' ' A' ' 41' ' ' ALA . 5.8 m-20 -110.36 5.53 21.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.484 0.549 . . . . 42.3 112.484 -178.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.72 -52.69 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 113.225 0.824 . . . . 74.41 113.225 -178.294 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.467 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 59.9 t80 -62.05 -52.26 64.66 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.599 0.592 . . . . 72.11 112.599 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.56 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.11 -40.08 94.02 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.868 0.692 . . . . 63.44 112.868 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.504 ' CD1' HG22 ' A' ' 60' ' ' VAL . 54.5 t-105 -65.44 -52.41 53.36 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.572 0.349 . . . . 73.13 111.452 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 p -61.53 -29.16 69.82 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.147 0.499 . . . . 73.14 111.292 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 7.1 tptp -65.08 -39.3 93.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.213 -0.903 . . . . 74.32 112.489 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.8 mm -84.5 -47.58 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 74.41 113.144 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -97.81 -30.13 12.95 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.548 0.944 . . . . 74.11 113.548 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.547 0 C-N-CA 121.061 -0.59 . . . . 72.21 112.933 -179.589 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.66 0.267 . . . . 73.24 110.789 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -128.48 150.66 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.813 -0.631 . . . . 72.11 109.937 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.6 mmt -116.15 146.1 42.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 73.44 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.62 147.92 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.812 -0.631 . . . . 74.41 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.6 t -65.51 111.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 116.113 -0.494 . . . . 74.34 110.917 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.94 156.96 49.17 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.786 -0.643 . . . . 72.13 113.582 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.81 137.62 96.21 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-O 119.099 -0.477 . . . . 73.12 111.577 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.68 153.87 43.78 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.45 2.1 . . . . 72.51 112.776 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 p -115.13 124.62 51.96 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.858 -0.61 . . . . 74.13 110.884 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.61 123.9 20.93 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.972 -0.558 . . . . 74.54 111.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -43.41 88.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.893 -0.594 . . . . 54.4 111.855 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.14 -91.96 0.09 OUTLIER Glycine 0 C--N 1.34 0.791 0 O-C-N 123.469 0.481 . . . . 70.51 112.466 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.24 -146.98 6.56 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.417 -0.42 . . . . 74.41 112.555 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.76 152.08 20.92 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.338 0.255 . . . . 65.14 110.94 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.85 -43.6 7.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.895 -0.593 . . . . 72.34 111.281 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.23 -136.35 12.56 Favored Glycine 0 C--N 1.34 0.759 0 O-C-N 123.347 0.404 . . . . 61.51 112.708 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.5 m-20 -142.55 94.05 2.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.214 0.531 . . . . 72.42 110.168 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.44 -18.71 37.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.226 -0.897 . . . . 72.23 112.221 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -83.1 -22.3 33.45 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.131 0.419 . . . . 71.35 112.131 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -87.2 -37.84 16.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.475 0.31 . . . . 75.34 111.763 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 38.0 ptt180 -87.04 13.47 9.2 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.08 0.4 . . . . 74.03 112.08 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -82.02 -39.35 23.66 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.212 -0.449 . . . . 75.21 111.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -96.41 113.88 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.416 0.447 . . . . 74.41 111.254 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -140.5 152.3 45.49 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.877 -0.601 . . . . 74.35 111.172 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -108.13 146.47 32.63 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.814 -0.63 . . . . 73.34 110.511 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.17 141.24 35.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.984 -0.553 . . . . 71.01 110.915 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -116.81 149.79 39.41 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.887 -0.597 . . . . 74.35 110.806 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.04 130.81 47.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.904 -0.589 . . . . 73.5 110.807 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -106.09 146.51 30.07 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.864 -0.607 . . . . 73.42 111.175 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -106.06 147.37 29.0 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 74.12 110.828 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 74.15 110.607 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.509 0.195 . . . . 74.15 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.35 133.99 43.95 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.895 -0.593 . . . . 73.21 110.797 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -65.79 150.81 47.94 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.939 -0.573 . . . . 71.44 112.258 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mp -128.63 151.17 49.8 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.877 -0.601 . . . . 73.23 110.841 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -99.31 128.28 45.41 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.889 -0.596 . . . . 72.22 110.839 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.58 -140.69 15.03 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.866 -0.606 . . . . 72.24 112.512 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.522 ' OE1' ' HE2' ' A' ' 94' ' ' MET . 37.9 mt-30 -115.25 156.47 25.33 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.811 0.339 . . . . 75.2 111.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -98.15 -12.59 21.58 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.505 -0.771 . . . . 71.04 111.6 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -92.95 80.6 1.1 Allowed Glycine 0 C--N 1.341 0.853 0 C-N-CA 121.387 -0.435 . . . . 63.22 113.028 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mp -73.89 158.79 33.83 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.934 0.494 . . . . 75.44 111.466 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 47.6 t -80.98 105.42 12.19 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 121.352 0.596 . . . . 74.54 110.705 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.95 -8.27 21.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.118 . . . . 65.22 114.02 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.1 t -91.71 -50.87 5.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.754 0.279 . . . . 73.32 111.754 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 p -101.41 -2.5 30.71 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.823 0.305 . . . . 73.22 111.823 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 55.66 44.57 26.23 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.909 0.883 . . . . 63.35 111.867 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.32 149.53 42.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.5 -0.773 . . . . 75.41 110.156 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -65.39 124.9 23.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.701 -0.681 . . . . 73.24 112.015 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 30.8 mt -87.72 98.37 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.919 -0.771 . . . . 74.1 108.919 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.4 tmt_? -147.84 159.72 43.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.415 -0.811 . . . . 73.25 111.951 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.34 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.978 1.311 . . . . 73.32 114.36 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.493 ' O ' ' HG3' ' A' ' 23' ' ' MET . 11.9 t80 -68.94 -63.42 1.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.566 0.347 . . . . 64.44 111.359 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 23' ' ' MET . 0.0 OUTLIER 34.28 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.9 1.28 . . . . 64.3 114.271 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.564 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 66.0 mtt 50.81 55.82 8.95 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.93 0.892 . . . . 73.45 111.557 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 32' ' ' TYR . 24.5 p -132.74 165.51 24.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.209 -0.905 . . . . 74.24 112.065 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.511 ' SD ' ' HA3' ' A' ' 89' ' ' GLY . 21.1 ttp -93.45 160.06 14.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.409 -0.814 . . . . 73.33 110.054 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' O ' ' HE1' ' A' ' 25' ' ' MET . 38.5 ttt180 -84.71 115.62 22.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.192 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -87.51 -179.22 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 115.71 -0.677 . . . . 71.34 110.293 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' H ' HG12 ' A' ' 27' ' ' VAL . 65.7 mttm -51.19 -67.38 0.26 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.475 0.917 . . . . 71.52 113.475 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -120.53 -42.87 2.52 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.121 0.415 . . . . 72.31 112.121 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 72.1 mttt -108.14 144.62 35.29 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.259 0.35 . . . . 74.21 111.896 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 4.9 t -105.47 143.19 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.646 -0.706 . . . . 72.34 109.195 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.528 ' O ' HG22 ' A' ' 24' ' ' THR . 33.1 m-85 -134.23 152.16 51.68 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.337 0.398 . . . . 73.03 111.458 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.727 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 38.1 m80 -65.65 159.72 24.24 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.132 0.573 . . . . 74.32 111.436 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.39 -44.32 87.91 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.135 0.272 . . . . 74.42 110.802 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.11 -28.04 68.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.872 -0.604 . . . . 74.12 111.024 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.727 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -88.05 -3.26 58.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.463 -0.79 . . . . 64.13 111.424 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -85.85 62.1 7.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.475 0.655 . . . . 74.33 110.066 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.4 mttt -120.26 162.9 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.228 -0.896 . . . . 74.22 111.496 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 8.9 t -66.16 147.5 53.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.918 -0.583 . . . . 74.45 111.978 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.9 -18.63 39.51 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.544 0.572 . . . . 65.45 112.544 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -108.13 -43.75 4.32 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.19 0.441 . . . . 62.42 112.19 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -95.39 -19.99 19.47 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.331 0.394 . . . . 72.25 111.89 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 67.36 2.0 2.69 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.054 0.941 . . . . 74.42 112.357 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -66.16 162.98 18.63 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.223 0.609 . . . . 72.43 111.494 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -97.51 148.3 23.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.04 -0.527 . . . . 71.44 111.119 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.499 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 5.9 m-85 -98.7 153.11 18.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.695 -0.684 . . . . 74.55 110.814 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.6 p -120.55 157.64 29.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.438 -0.801 . . . . 65.21 111.199 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.63 132.58 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.045 -0.525 . . . . 74.21 112.004 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -16.02 36.49 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.583 0.552 . . . . 73.41 113.205 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.62 150.67 21.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.336 0.255 . . . . 71.24 110.946 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.16 131.84 34.56 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -121.41 154.73 36.13 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.504 0.503 . . . . 65.34 111.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.61 126.34 51.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.583 -0.735 . . . . 72.44 109.594 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 tt -87.63 113.42 23.3 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.856 -0.611 . . . . 61.4 110.726 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -90.5 176.32 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.427 -0.806 . . . . 73.45 110.755 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.5 m-80 -47.94 -35.68 11.12 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.795 1.035 . . . . 75.13 113.795 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.606 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 54.0 p -109.3 -69.84 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.284 0.476 . . . . 70.43 112.284 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.606 ' H ' ' HG ' ' A' ' 57' ' ' SER . 7.9 m-20 -120.37 -161.12 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.242 0.217 . . . . 75.52 111.403 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -92.16 138.68 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.605 0.362 . . . . 75.25 110.266 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.525 HG11 ' OD2' ' A' ' 64' ' ' ASP . 88.5 t -120.52 116.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.864 -0.607 . . . . 75.51 110.377 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 p -66.26 158.72 28.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.31 -0.404 . . . . 72.41 111.912 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.83 -17.96 28.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.419 0.896 . . . . 74.23 113.419 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -65.86 -45.09 83.43 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.793 0.664 . . . . 75.13 112.793 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.525 ' OD2' HG11 ' A' ' 60' ' ' VAL . 10.9 p-10 -110.83 5.12 20.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.03 0.752 . . . . 42.3 113.03 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -53.7 -49.94 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 113.028 0.751 . . . . 74.41 113.028 -178.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.591 ' HH ' ' HZ2' ' A' ' 70' ' ' LYS . 54.5 t80 -61.61 -53.81 51.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.062 0.393 . . . . 72.11 112.062 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.7 mt-10 -65.39 -38.05 88.84 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.013 0.746 . . . . 63.44 113.013 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.483 ' HE1' HG12 ' A' ' 55' ' ' ILE . 56.1 t-105 -65.35 -53.41 43.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.727 0.411 . . . . 73.13 111.711 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -64.69 -29.6 70.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.765 0.426 . . . . 73.14 111.722 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HZ2' ' HH ' ' A' ' 66' ' ' TYR . 36.4 tttp -65.39 -37.43 86.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.368 -0.833 . . . . 74.32 112.684 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 67' ' ' GLU . 30.0 mm -83.97 -47.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.492 0.553 . . . . 74.41 112.492 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -94.76 5.42 51.93 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.912 0.708 . . . . 74.11 112.912 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.09 -98.43 1.6 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.2 -0.524 . . . . 72.21 112.503 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.6 -126.36 7.1 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 121.419 -0.419 . . . . 72.31 112.506 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.6 m -128.36 145.05 51.19 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.674 0.279 . . . . 74.05 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 154.15 113.25 0.49 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.819 -0.628 . . . . 65.43 112.462 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.45 75.02 0.21 Allowed Glycine 0 C--N 1.337 0.613 0 C-N-CA 121.45 -0.405 . . . . 75.05 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -127.8 131.64 49.56 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.611 0.242 . . . . 62.24 110.959 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.14 -132.76 4.64 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.865 -0.607 . . . . 53.13 112.508 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -150.59 78.14 0.22 Allowed Glycine 0 C--N 1.336 0.562 0 C-N-CA 121.455 -0.403 . . . . 71.44 112.526 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.5 m 62.75 125.9 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.946 0.898 . . . . 75.44 112.088 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.82 110.47 0.44 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.791 -0.64 . . . . 73.23 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 171.11 54.19 0.04 OUTLIER Glycine 0 C--N 1.336 0.568 0 C-N-CA 121.479 -0.391 . . . . 72.21 112.567 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.39 146.24 51.28 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.628 0.252 . . . . 73.24 110.83 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.64 145.83 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 115.93 -0.577 . . . . 72.11 109.922 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -119.57 147.93 43.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.698 -0.683 . . . . 73.44 111.213 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.85 145.17 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.741 -0.663 . . . . 74.41 110.318 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.55 109.31 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-O 120.946 0.403 . . . . 74.34 111.196 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.511 ' HA3' ' SD ' ' A' ' 25' ' ' MET . . . -67.39 150.13 51.41 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.421 -0.809 . . . . 72.13 113.666 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.2 155.73 86.82 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.117 -0.468 . . . . 73.12 111.148 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.564 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.0 Cg_endo -81.56 133.88 8.5 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.337 2.025 . . . . 72.51 112.708 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -115.44 117.73 31.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.972 -0.558 . . . . 74.13 111.04 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 93' ' ' LEU . 2.3 pp -65.89 126.54 28.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.771 -0.65 . . . . 74.54 112.184 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.522 ' HE2' ' OE1' ' A' ' 7' ' ' GLN . 20.5 mmt -65.94 -17.77 64.89 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.843 0.683 . . . . 54.4 112.843 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.43 77.62 2.0 Allowed Glycine 0 C--N 1.342 0.895 0 O-C-N 123.318 0.387 . . . . 70.51 112.967 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.32 111.04 0.49 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.609 -0.329 . . . . 74.41 112.318 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.52 124.18 43.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.664 0.268 . . . . 65.14 111.017 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -124.99 82.97 2.11 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 115.71 -0.677 . . . . 72.34 110.522 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.21 164.15 25.91 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.08 -0.964 . . . . 61.51 112.543 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -128.86 82.66 2.1 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.306 0.574 . . . . 72.42 110.939 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -88.39 -18.88 27.43 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.35 -0.841 . . . . 72.23 112.098 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.78 -31.79 25.72 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.15 0.426 . . . . 71.35 112.15 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.26 -8.78 58.93 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.003 0.371 . . . . 75.34 112.003 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -92.43 -28.88 16.58 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.38 -0.373 . . . . 74.03 111.546 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.72 -42.85 8.93 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.328 0.392 . . . . 75.21 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.406 ' O ' HD13 ' A' ' 106' ' ' ILE . 2.1 pp -130.94 135.59 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.317 -0.401 . . . . 74.41 111.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.6 p -99.3 115.96 30.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.957 -0.565 . . . . 74.35 111.216 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.26 144.13 42.56 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.725 -0.671 . . . . 73.34 110.6 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.65 140.4 34.98 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.989 -0.55 . . . . 71.01 110.956 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -137.84 146.94 44.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.8 -0.636 . . . . 74.35 110.806 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -109.31 124.72 51.41 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.896 -0.593 . . . . 73.5 110.77 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -120.11 146.44 45.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.902 -0.59 . . . . 73.42 111.153 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -128.71 126.56 40.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.819 -0.628 . . . . 74.12 110.404 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -128.75 140.75 51.57 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.891 -0.595 . . . . 74.15 110.522 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -107.27 130.15 54.79 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.874 -0.603 . . . . 75.03 110.891 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -114.33 143.02 45.56 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.882 -0.599 . . . . 71.34 111.074 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.08 -41.68 7.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.838 -0.619 . . . . 72.43 111.455 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 63.25 126.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.02 0.928 . . . . 73.4 112.021 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.19 135.62 1.87 Allowed Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.808 -0.633 . . . . 71.42 112.494 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -107.84 154.23 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 O-C-N 123.658 0.269 . . . . 74.12 111.358 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.05 140.01 33.84 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.801 -0.636 . . . . 74.34 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -121.55 -42.18 2.45 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.858 -0.61 . . . . 75.0 111.252 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.091 -0.957 . . . . 75.3 110.521 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.512 0.196 . . . . 74.15 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.66 128.85 54.92 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.923 -0.58 . . . . 73.21 110.823 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -65.77 131.49 46.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 115.861 -0.609 . . . . 71.44 112.124 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.6 mt -128.53 -44.66 1.36 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.805 -0.634 . . . . 73.23 111.044 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -132.47 128.9 38.4 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 123.385 0.428 . . . . 72.22 110.746 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.69 175.47 30.97 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.923 -0.581 . . . . 72.24 112.659 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.558 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -112.12 152.7 27.98 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.844 0.354 . . . . 75.2 111.37 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.68 -11.34 20.98 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.399 -0.819 . . . . 71.04 111.165 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -92.36 83.45 1.16 Allowed Glycine 0 C--N 1.34 0.797 0 O-C-N 123.518 0.511 . . . . 63.22 112.93 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp -71.92 158.67 35.6 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.085 0.554 . . . . 75.44 111.448 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.24 110.35 16.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.293 0.568 . . . . 74.54 111.352 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.24 -9.87 36.51 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.843 1.053 . . . . 65.22 113.843 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 t -91.79 -53.86 4.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.988 0.366 . . . . 73.32 111.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.7 p -98.1 -2.49 39.96 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.965 0.357 . . . . 73.22 111.965 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 54.52 43.35 30.44 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.834 0.854 . . . . 63.35 111.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -120.26 151.05 39.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.448 -0.796 . . . . 75.41 110.547 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -65.61 120.98 13.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.815 -0.629 . . . . 73.24 112.011 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 25.7 mt -80.46 98.41 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 115.88 -0.6 . . . . 74.1 109.587 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.446 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 98.9 mtt180 -147.67 172.63 13.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.488 -0.778 . . . . 73.25 112.019 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.48 -80.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.878 1.271 . . . . 73.32 114.107 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.486 ' O ' ' HG3' ' A' ' 23' ' ' MET . 16.2 t80 -75.6 -54.16 7.43 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.616 0.366 . . . . 64.44 111.044 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 23' ' ' MET . 0.0 OUTLIER 34.01 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.016 1.326 . . . . 64.3 114.419 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 66.5 mtt 51.29 46.52 26.35 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.706 0.802 . . . . 73.45 111.233 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -104.41 159.5 15.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.042 -0.981 . . . . 74.24 112.147 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.55 171.51 7.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.24 -0.891 . . . . 73.33 110.512 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.79 113.03 23.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.884 0.373 . . . . 75.34 111.077 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.529 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -97.06 -179.2 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.638 -0.71 . . . . 71.34 109.658 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.4 mttt -54.37 -69.98 0.11 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.0 0.741 . . . . 71.52 113.0 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -43.3 2.51 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.96 0.355 . . . . 72.31 111.96 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.2 mttt -110.39 141.24 43.72 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.407 0.442 . . . . 74.21 111.47 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 t -101.05 142.54 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.254 -0.647 . . . . 72.34 109.254 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -127.41 150.73 49.5 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.16 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.686 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.6 m80 -65.09 157.84 27.47 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.497 0.498 . . . . 74.32 111.321 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.29 -45.5 84.16 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.16 0.288 . . . . 74.42 110.641 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 43.5 mt-10 -66.28 -30.21 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.783 -0.644 . . . . 74.12 111.238 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.686 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 33.8 m -84.97 -3.52 58.79 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.65 -0.705 . . . . 64.13 111.662 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -88.89 63.05 6.63 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.554 0.692 . . . . 74.33 110.239 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 45' ' ' HIS . 98.1 mttt -120.43 160.59 22.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.18 -0.918 . . . . 74.22 111.325 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 42.0 t -66.06 146.88 54.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.003 -0.544 . . . . 74.45 111.672 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.1 -3.29 57.24 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.847 -0.615 . . . . 65.45 112.13 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' OD2' ' A' ' 64' ' ' ASP . . . -112.09 -48.06 3.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.143 0.423 . . . . 62.42 112.143 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 23.3 p -113.71 -3.46 13.54 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.096 0.406 . . . . 72.25 112.096 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 16.3 mm-40 63.44 15.77 9.03 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.942 0.897 . . . . 74.42 113.014 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.639 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.2 tttm -65.74 163.97 15.53 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.691 0.396 . . . . 72.43 111.548 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.557 ' CE1' ' HE2' ' A' ' 38' ' ' LYS . 41.6 m-70 -94.08 154.79 17.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.962 -0.563 . . . . 71.44 111.171 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.518 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 14.2 m-85 -113.21 142.22 46.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.724 -0.671 . . . . 74.55 110.663 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 p -120.82 159.02 26.32 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.423 -0.808 . . . . 65.21 111.329 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.81 136.29 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 116.014 -0.539 . . . . 74.21 112.103 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.96 -22.49 27.55 Favored Glycine 0 C--N 1.338 0.66 0 CA-C-N 115.93 -0.577 . . . . 73.41 113.21 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.63 151.97 19.54 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.591 0.234 . . . . 71.24 111.175 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -85.45 138.52 32.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.811 -0.631 . . . . 74.23 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.05 154.92 45.12 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.373 0.42 . . . . 65.34 111.527 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tp -109.19 129.92 55.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 72.44 110.015 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -97.59 106.05 18.3 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.811 -0.631 . . . . 61.4 109.992 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -92.92 175.73 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 115.804 -0.635 . . . . 73.45 110.994 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -48.83 -35.93 15.67 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.82 1.044 . . . . 75.13 113.82 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.2 t -107.66 -73.85 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.341 0.497 . . . . 70.43 112.341 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.584 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.4 m-20 -120.35 -166.94 1.37 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.871 0.322 . . . . 75.52 111.871 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -93.72 143.27 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 122.851 0.46 . . . . 75.25 110.192 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.51 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.0 t -120.4 127.52 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 116.003 -0.544 . . . . 75.51 110.162 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.34 157.53 28.92 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.168 0.587 . . . . 72.41 112.257 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 65' ' ' ILE . 43.4 mt-10 -60.28 -22.55 63.27 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.945 -0.57 . . . . 74.23 111.886 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -67.06 -40.59 87.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.257 -0.428 . . . . 75.13 111.613 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' OD2' ' HB1' ' A' ' 41' ' ' ALA . 13.5 m-20 -110.33 5.37 21.55 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.694 0.627 . . . . 42.3 112.694 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.42 -52.64 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 113.058 0.762 . . . . 74.41 113.058 -178.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.2 t80 -61.6 -52.34 64.78 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.522 0.564 . . . . 72.11 112.522 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.563 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.11 -39.81 93.62 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.867 0.692 . . . . 63.44 112.867 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.51 ' CD1' HG21 ' A' ' 60' ' ' VAL . 59.9 t-105 -65.4 -54.45 28.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.635 0.374 . . . . 73.13 111.652 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -60.24 -29.49 68.79 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.042 0.449 . . . . 73.14 111.442 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.8 tttm -65.16 -37.59 87.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.138 -0.937 . . . . 74.32 112.632 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.4 mm -84.05 -47.43 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.525 . . . . 74.41 112.419 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -93.17 5.38 51.72 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.701 0.63 . . . . 74.11 112.701 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.7 -94.89 0.91 Allowed Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.162 -0.542 . . . . 72.21 112.411 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.09 -147.9 17.81 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.474 -0.393 . . . . 72.31 112.564 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.3 p -127.52 145.83 50.71 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.642 0.26 . . . . 74.05 110.969 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.95 -85.41 0.53 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 115.867 -0.606 . . . . 65.43 112.514 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.34 -122.26 0.6 Allowed Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.409 -0.424 . . . . 75.05 112.459 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -99.6 -42.12 7.03 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.275 0.23 . . . . 62.24 111.271 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -127.97 77.92 0.39 Allowed Glycine 0 C--N 1.34 0.757 0 O-C-N 123.491 0.494 . . . . 53.13 112.51 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.21 -97.99 0.44 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.457 -0.402 . . . . 71.44 112.456 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.6 m -100.89 130.82 46.95 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.637 0.257 . . . . 75.44 110.913 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.7 -143.87 3.84 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.821 -0.627 . . . . 73.23 112.512 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 142.67 151.82 5.57 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 121.487 -0.387 . . . . 72.21 112.585 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.77 147.48 25.42 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.286 0.234 . . . . 73.24 110.88 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.95 129.0 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.943 -0.571 . . . . 72.11 110.094 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 mtt -120.23 160.96 21.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.605 -0.725 . . . . 73.44 111.367 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.46 148.89 4.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.823 -0.626 . . . . 74.41 110.418 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.42 110.11 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 116.303 -0.408 . . . . 74.34 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.64 151.1 52.25 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 115.494 -0.775 . . . . 72.13 113.431 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.22 148.77 98.33 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-O 118.984 -0.532 . . . . 73.12 111.366 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -79.63 155.3 24.16 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.368 2.045 . . . . 72.51 112.676 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -119.25 116.65 26.69 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.577 0.548 . . . . 74.13 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.89 127.31 31.53 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.844 -0.617 . . . . 74.54 111.526 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.0 mmt 40.97 -82.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.918 1.287 . . . . 54.4 113.719 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.58 -76.39 1.15 Allowed Glycine 0 C--N 1.343 0.92 0 C-N-CA 121.438 -0.41 . . . . 70.51 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.39 154.41 14.2 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.461 -0.4 . . . . 74.41 112.513 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 60.68 149.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.166 0.987 . . . . 65.14 112.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -97.91 -41.78 7.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.709 -0.678 . . . . 72.34 111.244 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.87 121.61 0.77 Allowed Glycine 0 C--N 1.34 0.791 0 O-C-N 123.392 0.432 . . . . 61.51 112.38 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -137.25 88.76 2.37 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.372 0.606 . . . . 72.42 110.57 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 11.8 tt0 -88.18 -18.94 27.63 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.219 -0.901 . . . . 72.23 111.671 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -84.53 -17.02 40.26 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.449 0.537 . . . . 71.35 112.449 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.12 -38.88 16.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.045 0.387 . . . . 75.34 112.045 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.401 HH21 ' HG3' ' A' ' 101' ' ' GLU . 7.7 ppt_? -88.27 2.86 51.47 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.24 0.459 . . . . 74.03 112.24 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 4.8 tp -95.54 -40.77 9.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.362 -0.381 . . . . 75.21 111.187 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.411 ' H ' HG13 ' A' ' 106' ' ' ILE . 2.1 pp -97.77 152.95 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.386 0.429 . . . . 74.41 111.53 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -116.46 -27.05 6.88 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.745 -0.661 . . . . 74.35 111.701 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 64.59 128.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.013 0.925 . . . . 73.34 112.029 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -129.28 153.51 47.73 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.669 -0.696 . . . . 71.01 110.822 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.19 149.2 21.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.964 -0.562 . . . . 74.35 111.132 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.37 -34.59 10.24 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.811 -0.631 . . . . 73.5 111.18 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.4 p 41.49 109.04 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.767 1.227 . . . . 73.42 113.887 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 64.41 131.95 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.037 0.935 . . . . 74.12 112.123 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -99.87 155.69 17.53 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.662 -0.699 . . . . 74.15 110.933 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.81 153.97 19.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.996 -0.547 . . . . 75.03 111.357 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.1 123.69 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.913 0.885 . . . . 71.34 112.21 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.57 -41.06 6.39 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.824 -0.626 . . . . 72.43 111.572 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -97.18 145.12 26.34 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.429 0.456 . . . . 73.4 110.958 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 125.79 102.72 1.34 Allowed Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.754 -0.657 . . . . 71.42 112.426 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.457 HD13 ' H ' ' A' ' 120' ' ' ILE . 0.2 OUTLIER -120.04 124.48 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 123.622 0.248 . . . . 74.12 111.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -110.8 134.66 52.32 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.902 -0.59 . . . . 74.34 110.836 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -128.5 140.59 51.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.974 -0.557 . . . . 75.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.488 -0.768 . . . . 75.3 110.827 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.564 0.221 . . . . 74.15 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.77 -43.01 2.8 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.881 -0.6 . . . . 73.21 111.147 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.66 149.24 50.42 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.958 0.503 . . . . 71.44 111.959 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 mt -127.33 143.43 51.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.787 -0.642 . . . . 73.23 110.736 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -128.29 141.92 51.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.94 -0.573 . . . . 72.22 110.966 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.01 147.41 17.82 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.811 -0.631 . . . . 72.24 112.343 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 41.5 mt-30 -107.91 149.78 27.89 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.687 0.279 . . . . 75.2 111.291 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -96.41 -13.74 22.96 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.599 -0.728 . . . . 71.04 111.38 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -99.6 88.99 0.84 Allowed Glycine 0 C--N 1.339 0.75 0 N-CA-C 112.064 -0.415 . . . . 63.22 112.064 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -86.17 159.12 19.59 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.865 0.466 . . . . 75.44 111.683 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.2 120.92 7.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.457 0.703 . . . . 74.54 112.805 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.9 66.45 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.322 1.23 . . . . 65.22 114.322 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -89.08 -53.91 4.36 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.348 0.87 . . . . 73.32 113.348 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 p -97.95 6.35 47.8 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.447 0.536 . . . . 73.22 112.447 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.09 51.88 5.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.305 1.042 . . . . 63.35 112.918 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 55.1 mmtt -120.02 144.78 47.35 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.391 -0.822 . . . . 75.41 110.571 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -56.97 123.81 16.47 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.882 0.697 . . . . 73.24 112.882 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 16.4 mt -84.17 135.12 25.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.549 -0.75 . . . . 74.1 110.036 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.531 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 99.2 mtt180 -139.03 -173.74 3.66 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.035 0.534 . . . . 73.25 112.288 -177.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.575 ' O ' ' HB3' ' A' ' 93' ' ' LEU . . . -67.61 3.12 1.49 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.693 1.368 . . . . 73.32 114.693 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 94' ' ' MET . 1.8 t80 -117.67 -33.44 4.54 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.591 0.71 . . . . 64.44 109.187 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 5.6 mm-40 -56.09 -21.49 22.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 115.393 1.627 . . . . 64.3 115.393 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.668 ' HA ' ' N ' ' A' ' 93' ' ' LEU . 32.0 mtt 63.63 135.44 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 118.545 0.612 . . . . 73.45 110.895 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.728 ' H ' ' HA ' ' A' ' 92' ' ' THR . 3.9 p -151.5 127.11 10.13 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.34 0.867 . . . . 74.24 113.34 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.567 ' O ' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -120.31 147.04 45.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.281 178.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.782 ' H ' ' H ' ' A' ' 90' ' ' GLU . 21.1 ttt180 -74.07 110.39 8.32 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.168 0.508 . . . . 75.34 111.888 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.1 t -103.94 -178.91 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.151 -0.931 . . . . 71.34 109.239 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' H ' HG12 ' A' ' 27' ' ' VAL . 95.7 mttt -51.4 -66.13 0.44 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.992 0.738 . . . . 71.52 112.992 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.71 -42.46 2.52 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.318 0.488 . . . . 72.31 112.318 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.545 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 38.5 mttm -115.96 148.39 40.14 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.05 0.389 . . . . 74.21 112.05 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 25' ' ' MET . 21.4 t -100.75 151.66 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.898 -0.779 . . . . 72.34 108.898 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.49 ' O ' ' HE2' ' A' ' 25' ' ' MET . 64.1 m-85 -131.72 153.73 49.74 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.79 0.663 . . . . 73.03 112.79 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.699 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 2.9 m80 -65.91 159.83 24.73 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.887 -1.051 . . . . 74.32 113.029 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 23' ' ' MET . 2.4 pp -56.29 -48.17 77.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.454 -0.573 . . . . 74.42 109.454 174.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' H ' ' HG ' ' A' ' 34' ' ' LEU . 45.5 mt-10 -65.35 -29.7 70.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.419 -0.81 . . . . 74.12 110.579 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.699 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -93.15 4.07 54.61 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.402 -0.817 . . . . 64.13 111.207 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.428 ' CD1' HD11 ' A' ' 59' ' ' ILE . 27.4 t80 -133.96 52.47 2.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.527 0.68 . . . . 74.33 109.858 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 157.45 33.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.504 -0.771 . . . . 74.22 111.238 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.1 t -66.38 139.55 58.02 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.058 0.223 . . . . 74.45 110.482 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.36 2.23 55.82 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.823 0.675 . . . . 65.45 112.823 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' ASP . . . -116.45 -50.87 2.62 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.251 0.463 . . . . 62.42 112.251 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 18.5 p -99.8 -3.8 31.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.584 0.231 . . . . 72.25 111.422 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.12 9.9 5.06 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.301 1.04 . . . . 74.42 113.204 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 12.9 tptm -66.24 157.67 30.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.792 0.329 . . . . 72.43 111.271 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -105.61 145.53 30.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.663 -0.699 . . . . 71.44 110.632 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.22 135.51 40.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.846 -0.616 . . . . 74.55 110.928 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 m -120.78 171.49 8.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.878 -1.055 . . . . 65.21 111.258 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.32 124.79 20.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 122.883 0.473 . . . . 74.21 111.944 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.08 6.3 37.02 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.763 -0.653 . . . . 73.41 113.843 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -118.36 147.56 43.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.123 0.461 . . . . 71.24 111.349 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -86.11 139.2 31.32 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.82 -0.627 . . . . 74.23 111.0 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.492 ' OH ' HG11 ' A' ' 27' ' ' VAL . 39.2 p90 -137.97 158.52 44.17 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.457 0.473 . . . . 65.34 111.925 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -120.09 129.34 54.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.228 -0.896 . . . . 72.44 108.795 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 55' ' ' ILE . 3.2 tt -89.43 115.65 27.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.105 -0.498 . . . . 61.4 111.699 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.2 tp -86.24 176.62 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 115.203 -0.908 . . . . 73.45 109.713 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.441 HD22 ' CB ' ' A' ' 108' ' ' ARG . 14.7 m-80 -47.71 -38.41 15.17 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.578 0.955 . . . . 75.13 113.578 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.3 t -120.56 -49.57 2.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.774 0.657 . . . . 70.43 112.774 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.583 ' O ' HG22 ' A' ' 55' ' ' ILE . 1.5 m-20 -116.35 -158.89 0.7 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.272 0.471 . . . . 75.52 112.272 -178.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.587 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.5 mp -120.16 134.85 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.12 0.568 . . . . 75.25 109.862 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 68' ' ' TRP . 28.6 t -121.08 127.7 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 123.54 0.525 . . . . 75.51 110.552 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.6 p -65.85 149.64 49.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.351 0.407 . . . . 72.41 111.393 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.538 ' O ' HG21 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.14 -18.66 26.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.319 0.859 . . . . 74.23 113.319 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -65.78 -51.38 59.57 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.093 0.405 . . . . 75.13 112.093 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.432 ' CG ' ' HB2' ' A' ' 41' ' ' ALA . 2.8 p30 -110.89 15.36 21.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.556 0.576 . . . . 42.3 112.556 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.538 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -56.76 -46.47 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 N-CA-C 112.774 0.657 . . . . 74.41 112.774 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.35 -49.21 70.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.874 0.469 . . . . 72.11 111.702 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.549 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -65.7 -28.98 69.47 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.848 0.684 . . . . 63.44 112.848 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.512 ' HE1' HG12 ' A' ' 55' ' ' ILE . 58.3 t-105 -62.87 -57.11 11.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.683 0.253 . . . . 73.13 111.683 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.6 p -66.95 -30.39 70.51 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.883 0.373 . . . . 73.14 111.587 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -66.09 -41.43 90.65 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.285 -0.87 . . . . 74.32 112.578 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 67' ' ' GLU . 43.9 mm -84.66 -32.78 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.538 0.57 . . . . 74.41 112.538 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -68.71 -30.19 68.78 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.062 0.764 . . . . 74.11 113.062 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.499 ' HA2' ' ND2' ' A' ' 111' ' ' ASN . . . 76.53 -159.06 49.61 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 121.474 -0.394 . . . . 72.21 113.187 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.451 ' O ' ' HG3' ' A' ' 110' ' ' GLU . . . -174.45 157.65 25.38 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.398 -0.43 . . . . 72.31 112.726 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.1 m -113.94 -41.68 3.51 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.277 0.231 . . . . 74.05 111.244 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.19 135.9 3.88 Favored Glycine 0 C--N 1.34 0.777 0 O-C-N 123.408 0.443 . . . . 65.43 112.494 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.32 130.12 2.1 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.505 -0.379 . . . . 75.05 112.547 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.0 m -102.11 140.3 36.57 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.272 0.229 . . . . 62.24 110.915 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.44 -125.23 0.76 Allowed Glycine 0 C--N 1.338 0.667 0 CA-C-N 115.917 -0.583 . . . . 53.13 112.515 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.56 154.6 6.36 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.479 -0.391 . . . . 71.44 112.512 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.6 p -99.49 130.37 45.74 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.647 0.263 . . . . 75.44 111.026 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.06 55.28 0.1 OUTLIER Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.834 -0.621 . . . . 73.23 112.518 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.82 -139.11 7.12 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 121.44 -0.409 . . . . 72.21 112.47 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -102.9 142.02 34.71 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.647 0.263 . . . . 73.24 110.833 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 t -115.22 144.59 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.875 -0.602 . . . . 72.11 109.9 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.7 mmt -120.08 145.35 46.96 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.777 -0.647 . . . . 73.44 111.224 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.24 157.23 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.667 -0.697 . . . . 74.41 110.513 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 110.17 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 116.041 -0.527 . . . . 74.34 111.082 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 -120.68 0.01 OUTLIER Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.245 -0.889 . . . . 72.13 114.93 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.782 ' H ' ' H ' ' A' ' 26' ' ' ARG . 16.2 mt-10 -50.91 158.6 1.12 Allowed Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 124.497 1.119 . . . . 73.12 113.07 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 24' ' ' THR . 32.8 Cg_endo -70.11 150.71 66.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.347 2.031 . . . . 72.51 115.286 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.728 ' HA ' ' H ' ' A' ' 24' ' ' THR . 9.4 p -102.25 109.35 21.0 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 113.85 -1.523 . . . . 74.13 108.731 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.668 ' N ' ' HA ' ' A' ' 23' ' ' MET . 3.8 mm? -66.32 111.09 3.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.914 -0.585 . . . . 74.54 112.137 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.445 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 65.6 mtt -18.6 129.24 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.306 1.443 . . . . 54.4 114.765 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' HA2' ' CD2' ' A' ' 21' ' ' TYR . . . -148.95 -132.64 2.14 Favored Glycine 0 C--N 1.34 0.777 0 CA-C-N 115.445 -0.798 . . . . 70.51 112.688 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.16 26.6 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.525 -0.369 . . . . 74.41 112.763 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -131.35 156.84 44.82 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.518 0.327 . . . . 65.14 111.252 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -127.33 -43.01 1.64 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.21 -0.45 . . . . 72.34 111.676 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.8 5.4 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 121.137 -0.554 . . . . 61.51 113.224 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.46 100.05 2.69 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.183 0.593 . . . . 72.42 109.88 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.7 -17.76 37.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.244 -0.889 . . . . 72.23 112.745 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.4 -11.58 1.97 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 114.393 1.257 . . . . 71.35 114.393 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.61 -2.76 30.76 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.906 0.706 . . . . 75.34 112.906 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -90.64 11.03 23.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 111.878 0.325 . . . . 74.03 111.878 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.8 -34.49 11.87 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.061 0.393 . . . . 75.21 112.061 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.532 HD11 ' H ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -87.68 157.6 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.496 0.554 . . . . 74.41 112.496 -178.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 73' ' ' GLY . 22.8 p -134.67 161.29 35.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.448 -0.797 . . . . 74.35 110.787 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.441 ' CB ' HD22 ' A' ' 56' ' ' ASN . 2.9 tmt_? -122.09 -58.89 1.7 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.611 -0.268 . . . . 73.34 111.376 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.95 148.23 38.99 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.184 0.303 . . . . 71.01 111.07 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 74' ' ' GLY . 11.1 tt0 -91.91 125.2 36.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.944 -0.571 . . . . 74.35 111.103 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.499 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 4.5 p30 -134.55 161.83 33.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.588 -0.733 . . . . 73.5 110.778 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.8 p -85.58 115.35 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.275 -0.421 . . . . 73.42 111.559 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -135.76 157.05 47.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.621 -0.718 . . . . 74.12 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -92.58 153.07 19.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.05 -0.523 . . . . 74.15 111.017 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -93.18 147.89 22.49 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.972 -0.558 . . . . 75.03 111.225 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -124.27 154.39 40.29 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.748 -0.66 . . . . 71.34 111.153 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.82 -41.99 9.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.992 -0.549 . . . . 72.43 111.597 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 63.09 128.11 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.918 0.887 . . . . 73.4 112.126 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.1 -102.48 2.46 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.802 -0.635 . . . . 71.42 112.533 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -111.1 146.73 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 O-C-N 123.616 0.244 . . . . 74.12 111.333 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.18 137.11 52.87 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.848 -0.615 . . . . 74.34 110.853 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -103.42 138.25 40.41 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.859 -0.61 . . . . 75.0 110.806 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.486 -0.768 . . . . 75.3 110.55 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.568 0.223 . . . . 74.15 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tp -100.55 148.07 25.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.827 -0.624 . . . . 73.21 110.567 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.57 129.13 38.66 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.954 -0.566 . . . . 71.44 111.938 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.76 -37.9 1.52 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.781 -0.645 . . . . 73.23 111.212 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 63.53 123.87 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.972 0.909 . . . . 72.22 112.139 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.7 -77.38 1.07 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.668 -0.696 . . . . 72.24 112.06 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -120.28 143.28 48.41 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.677 0.281 . . . . 75.2 110.866 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -92.92 -10.96 34.63 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.593 -0.73 . . . . 71.04 111.177 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.632 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -93.05 89.61 1.36 Allowed Glycine 0 C--N 1.339 0.731 0 CA-C-N 115.658 -0.701 . . . . 63.22 112.69 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.6 159.39 2.95 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.785 0.834 . . . . 75.44 111.8 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.5 t -60.65 135.01 57.64 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.603 0.594 . . . . 74.54 112.603 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -65.99 -36.17 82.57 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.838 -1.074 . . . . 65.22 113.015 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 m -89.38 -52.6 4.96 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.211 0.319 . . . . 73.32 111.773 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 2.6 p -102.94 155.54 18.29 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.093 0.245 . . . . 73.22 110.534 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.79 53.17 2.33 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.333 0.587 . . . . 63.35 110.878 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -120.93 135.19 55.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.5 -0.773 . . . . 75.41 109.783 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -65.16 135.98 56.13 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.828 -0.624 . . . . 73.24 112.536 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 9' ' ' GLY . 57.6 mt -87.37 125.07 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.48 -0.782 . . . . 74.1 109.248 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 77.8 mtp180 -112.15 -174.63 2.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.179 0.436 . . . . 73.25 112.179 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.27 63.88 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.075 0.768 . . . . 73.32 113.075 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -77.78 0.24 24.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 122.965 0.506 . . . . 64.44 110.476 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.633 ' OE2' ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -96.34 109.94 22.36 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.926 0.87 . . . . 64.3 112.453 -178.021 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.7 mtm -106.6 88.39 2.75 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.597 -1.638 . . . . 73.45 107.85 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -104.13 163.92 12.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.57 -1.196 . . . . 74.24 113.047 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.503 ' SD ' ' HA ' ' A' ' 88' ' ' VAL . 13.9 ptm -107.09 172.23 6.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.642 -1.163 . . . . 73.33 109.911 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -89.2 108.64 19.73 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.667 0.27 . . . . 75.34 110.36 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.489 HG11 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.59 175.72 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.96 -0.564 . . . . 71.34 110.013 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' H ' HG11 ' A' ' 27' ' ' VAL . 96.7 mttt -54.16 -67.29 0.27 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.279 0.844 . . . . 71.52 113.279 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.56 -42.34 2.54 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.169 0.433 . . . . 72.31 112.169 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.7 mttt -118.51 146.17 44.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.043 0.386 . . . . 74.21 112.043 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -101.65 147.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.626 -0.715 . . . . 72.34 109.276 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.477 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 32.1 m-85 -127.0 162.09 26.83 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.302 -178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.633 ' HA ' ' OE2' ' A' ' 22' ' ' GLU . 5.7 m80 -65.13 154.77 36.98 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.879 0.472 . . . . 74.32 111.226 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.87 -44.07 90.9 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.805 -0.443 . . . . 74.42 109.805 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 41.1 mt-10 -66.17 -33.91 76.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.636 -0.711 . . . . 74.12 111.327 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.4 m -80.99 0.59 34.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.075 -0.511 . . . . 64.13 111.779 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -90.46 57.62 3.72 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.425 0.631 . . . . 74.33 110.409 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HD3' ' CE1' ' A' ' 45' ' ' HIS . 9.7 mtmp? -120.07 164.52 16.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.292 -0.867 . . . . 74.22 111.244 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.5 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.088 0.555 . . . . 74.45 111.86 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.05 -10.93 48.7 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.93 0.715 . . . . 65.45 112.93 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' HB3' ' CG ' ' A' ' 64' ' ' ASP . . . -110.4 -50.26 2.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.349 0.5 . . . . 62.42 112.349 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.2 p -103.46 -6.56 21.71 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.7 mp0 63.74 14.95 8.63 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.06 0.944 . . . . 74.42 113.19 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 57.5 tttt -65.68 163.25 16.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.47 0.308 . . . . 72.43 111.411 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.49 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 56.8 m-70 -95.19 154.66 17.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.047 -0.524 . . . . 71.44 111.139 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.49 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 19.1 m-85 -112.91 137.82 50.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.736 -0.665 . . . . 74.55 110.967 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 t -120.64 162.44 19.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.309 -0.859 . . . . 65.21 110.848 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.58 141.6 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.086 -0.506 . . . . 74.21 112.17 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.76 6.07 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.669 0.605 . . . . 73.41 113.112 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.7 150.65 20.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.63 0.253 . . . . 71.24 110.9 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -87.51 143.38 27.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.798 -0.637 . . . . 74.23 111.236 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -128.17 156.46 42.86 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.526 0.516 . . . . 65.34 111.343 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 tt -117.32 126.96 53.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.663 -0.699 . . . . 72.44 109.768 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.11 109.23 20.48 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.898 -0.592 . . . . 61.4 110.471 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.588 HG21 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.06 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 115.673 -0.694 . . . . 73.45 110.945 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.411 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.7 m-80 -47.96 -35.82 11.43 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.788 1.033 . . . . 75.13 113.788 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.5 t -106.38 -73.89 0.67 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.846 0.313 . . . . 70.43 111.846 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.588 ' O ' HG21 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.49 -163.37 1.01 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.308 0.243 . . . . 75.52 111.345 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -91.06 140.36 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 122.651 0.38 . . . . 75.25 110.412 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.5 t -120.47 120.63 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 75.51 110.093 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -65.19 159.92 22.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.98 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -64.26 -18.32 64.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.795 -0.638 . . . . 74.23 112.592 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -66.04 -50.71 63.21 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.083 0.401 . . . . 75.13 112.083 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' CG ' ' HB3' ' A' ' 41' ' ' ALA . 2.1 p30 -110.85 15.18 21.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.864 0.69 . . . . 42.3 112.864 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -56.09 -51.45 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.244 0.618 . . . . 74.41 112.6 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -59.17 -52.71 64.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.117 0.567 . . . . 72.11 112.485 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 71' ' ' ILE . 41.7 mt-10 -62.59 -43.52 98.61 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.584 0.587 . . . . 63.44 112.584 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.444 ' HE1' HG12 ' A' ' 55' ' ' ILE . 55.2 t-105 -65.17 -42.19 93.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.752 0.421 . . . . 73.13 111.835 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 p -67.07 -28.88 68.56 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.096 0.558 . . . . 73.14 111.295 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.85 -43.63 98.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.199 -0.91 . . . . 74.32 112.086 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 67' ' ' GLU . 3.0 mp -84.79 -47.37 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 123.364 0.415 . . . . 74.41 111.596 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -69.67 -29.84 67.38 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.961 0.726 . . . . 74.11 112.961 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.82 125.55 3.57 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.776 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.14 -55.03 0.01 OUTLIER Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.535 -0.364 . . . . 72.31 112.471 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.4 t -108.11 144.37 35.59 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.637 0.257 . . . . 74.05 110.706 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.1 -71.11 0.39 Allowed Glycine 0 C--N 1.337 0.597 0 CA-C-N 115.863 -0.608 . . . . 65.43 112.533 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.94 -67.67 0.02 OUTLIER Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.446 -0.406 . . . . 75.05 112.498 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -104.6 136.58 43.87 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.629 0.253 . . . . 62.24 110.693 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.63 139.09 14.23 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.894 -0.594 . . . . 53.13 112.509 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.05 -116.17 0.73 Allowed Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.476 -0.393 . . . . 71.44 112.554 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.4 p -100.37 138.17 37.79 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.622 0.248 . . . . 75.44 110.974 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.59 103.76 1.23 Allowed Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.816 -0.629 . . . . 73.23 112.461 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.39 79.13 0.04 OUTLIER Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.396 -0.431 . . . . 72.21 112.574 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.61 142.67 31.76 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.3 0.24 . . . . 73.24 110.86 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 t -112.45 143.36 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 115.892 -0.594 . . . . 72.11 109.975 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.3 mmt -120.08 148.65 43.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.914 -0.584 . . . . 73.44 110.978 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.87 149.67 5.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.831 -0.622 . . . . 74.41 110.63 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.503 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 4.4 t -65.29 109.99 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.713 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.416 ' H ' ' CE ' ' A' ' 25' ' ' MET . . . -66.25 146.64 49.18 Favored Glycine 0 C--N 1.342 0.912 0 CA-C-N 115.557 -0.747 . . . . 72.13 113.946 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.92 111.6 6.85 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 122.96 0.504 . . . . 73.12 111.776 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -62.79 155.42 59.74 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 122.749 2.299 . . . . 72.51 113.105 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.5 p -120.09 111.29 17.68 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 74.13 111.251 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.15 118.39 9.82 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.78 -0.645 . . . . 74.54 111.806 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 90.7 mtp 40.76 105.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.751 1.22 . . . . 54.4 113.762 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.95 -172.67 29.82 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.671 -0.695 . . . . 70.51 112.926 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -153.08 147.26 16.58 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 112.239 -0.344 . . . . 74.41 112.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -98.17 137.66 36.61 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.64 0.259 . . . . 65.14 110.943 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.71 -42.45 7.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.816 -0.629 . . . . 72.34 111.269 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.57 153.48 24.57 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.414 0.446 . . . . 61.51 112.671 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.6 m-20 -143.21 93.97 2.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.286 0.565 . . . . 72.42 110.062 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -82.11 -18.91 41.29 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.266 -0.879 . . . . 72.23 112.355 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 -22.59 30.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.315 0.487 . . . . 71.35 112.315 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.18 -36.54 17.97 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.004 0.372 . . . . 75.34 112.004 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 16.7 ptm180 -84.09 -9.18 58.81 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.43 0.53 . . . . 74.03 112.43 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.8 tt -93.87 -47.21 6.85 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.196 0.31 . . . . 75.21 110.756 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.61 167.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 125.135 1.374 . . . . 74.41 114.361 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -142.35 123.84 14.88 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.721 -0.672 . . . . 74.35 110.848 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.21 147.08 27.48 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.935 -0.575 . . . . 73.34 110.931 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.56 154.54 18.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.795 -0.639 . . . . 71.01 110.887 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.28 130.45 39.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.01 -0.541 . . . . 74.35 111.086 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.99 152.79 19.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.82 -0.627 . . . . 73.5 111.227 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -97.53 146.17 25.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.928 -0.578 . . . . 73.42 111.145 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -127.37 143.81 51.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.884 -0.598 . . . . 74.12 110.953 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -101.52 146.27 27.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.881 -0.6 . . . . 74.15 110.889 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.08 -41.69 1.59 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.926 -0.579 . . . . 75.03 111.265 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.91 140.36 33.19 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.405 0.441 . . . . 71.34 111.193 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.48 -41.49 7.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.859 -0.61 . . . . 72.43 111.426 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 18.4 m120 63.14 125.43 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.958 0.903 . . . . 73.4 112.024 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 130.59 -154.95 20.91 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.777 -0.647 . . . . 71.42 112.53 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -120.04 148.23 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 123.656 0.268 . . . . 74.12 111.334 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.67 130.93 46.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.898 -0.592 . . . . 74.34 110.927 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.46 127.25 40.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.986 -0.552 . . . . 75.0 111.07 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.061 -0.971 . . . . 75.3 110.837 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.534 0.207 . . . . 74.15 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 5' ' ' PHE . 5.8 mp -128.26 103.72 7.33 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.841 -0.618 . . . . 73.21 110.582 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.24 -47.78 72.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.673 -0.694 . . . . 71.44 112.554 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 mp -132.61 -13.4 2.95 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.394 0.434 . . . . 73.23 112.031 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 83.3 m-85 -84.15 154.49 23.09 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.435 0.294 . . . . 72.22 111.479 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.77 140.16 6.46 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.893 -0.594 . . . . 72.24 112.408 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -100.26 156.4 17.24 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.93 0.395 . . . . 75.2 111.535 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -103.07 -9.58 19.61 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.223 -0.899 . . . . 71.04 111.229 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.549 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -75.71 70.17 2.01 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.269 -0.423 . . . . 63.22 113.663 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -56.54 158.04 4.74 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.108 0.563 . . . . 75.44 111.236 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.4 t -76.77 135.64 38.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.938 0.399 . . . . 74.54 111.436 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -65.75 -33.66 76.37 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.093 -0.958 . . . . 65.22 113.114 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 m -92.95 -49.66 5.93 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.254 0.347 . . . . 73.32 111.905 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.57 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.6 p -106.98 157.98 17.38 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.095 0.247 . . . . 73.22 110.736 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -91.71 52.29 2.01 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.548 0.689 . . . . 63.35 110.486 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -120.18 131.89 55.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.209 -0.905 . . . . 75.41 109.944 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.16 130.95 45.21 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.775 -0.648 . . . . 73.24 111.954 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.549 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 17.2 mt -79.27 98.56 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.687 -0.688 . . . . 74.1 109.263 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.2 tmt_? -147.78 159.89 43.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.518 -0.765 . . . . 73.25 112.056 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.44 -75.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.985 1.314 . . . . 73.32 114.252 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.482 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.5 t80 -72.92 -58.83 3.04 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.513 0.325 . . . . 64.44 111.221 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 32.61 -87.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.872 1.269 . . . . 64.3 114.291 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.482 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 68.0 mtt 45.55 76.69 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.058 0.943 . . . . 73.45 112.061 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 32' ' ' TYR . 22.2 p -141.95 161.59 37.59 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.211 -0.904 . . . . 74.24 111.855 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.77 168.44 10.32 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 73.33 110.459 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -87.89 119.49 28.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.753 0.311 . . . . 75.34 110.935 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.553 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.2 t -93.38 -179.25 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.728 -0.669 . . . . 71.34 109.783 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' H ' HG11 ' A' ' 27' ' ' VAL . 96.8 mttt -49.63 -67.75 0.24 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.708 1.003 . . . . 71.52 113.708 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.48 -43.16 2.51 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 111.978 0.362 . . . . 72.31 111.978 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.8 mttt -112.37 151.38 29.85 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.235 0.334 . . . . 74.21 111.543 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.8 t -106.13 146.4 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.881 -0.6 . . . . 72.34 109.917 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.545 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 32.1 m-85 -128.53 150.25 50.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.979 -0.555 . . . . 73.03 111.104 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.68 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 13.3 m80 -65.52 159.23 24.98 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.405 0.441 . . . . 74.32 110.349 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.12 -44.82 87.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.6 0.238 . . . . 74.42 110.607 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.49 -33.32 75.42 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.831 -0.622 . . . . 74.12 111.392 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.68 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 28.0 m -82.32 -0.86 47.65 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.787 -0.642 . . . . 64.13 111.943 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -91.0 64.07 5.3 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.48 0.657 . . . . 74.33 110.082 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -120.7 163.63 17.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.195 -0.911 . . . . 74.22 111.862 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 43.0 t -66.13 147.3 53.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.389 0.676 . . . . 74.45 111.954 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.9 -7.01 50.4 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.8 -0.636 . . . . 65.45 112.122 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.3 -50.26 3.19 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.169 0.433 . . . . 62.42 112.169 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.5 p -109.56 -4.47 16.22 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.004 0.372 . . . . 72.25 112.004 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.527 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.93 11.77 7.29 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.075 0.95 . . . . 74.42 113.111 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.55 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.7 tttt -65.83 163.4 16.89 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.617 0.367 . . . . 72.43 111.385 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -97.8 151.44 20.19 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.076 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 10.8 m-85 -102.24 154.14 19.31 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.655 -0.702 . . . . 74.55 110.968 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -120.61 155.68 33.24 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.594 -0.73 . . . . 65.21 111.261 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.77 128.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 115.937 -0.574 . . . . 74.21 112.279 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.92 -16.12 36.59 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 123.548 0.53 . . . . 73.41 113.494 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.55 151.76 19.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.764 0.282 . . . . 71.24 111.316 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.04 136.94 32.74 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.845 -0.616 . . . . 74.23 111.043 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -129.92 158.59 39.12 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.505 0.503 . . . . 65.34 111.415 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.43 126.45 54.99 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.701 -0.681 . . . . 72.44 109.624 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -93.59 110.14 21.74 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.882 -0.599 . . . . 61.4 110.306 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -91.87 175.9 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.696 -0.684 . . . . 73.45 110.898 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' H ' HG13 ' A' ' 55' ' ' ILE . 16.8 m-80 -48.04 -36.32 12.71 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.713 1.005 . . . . 75.13 113.713 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.5 m -105.5 -75.54 0.62 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.187 0.44 . . . . 70.43 112.187 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' HG23 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.43 -167.16 1.41 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.698 0.259 . . . . 75.52 111.698 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -92.68 143.67 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.693 0.397 . . . . 75.25 110.471 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.6 t -120.24 127.8 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.661 0.601 . . . . 75.51 109.852 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 p -65.19 157.32 29.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.938 -0.574 . . . . 72.41 112.293 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.64 ' O ' HG21 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.6 -23.33 58.53 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.908 -0.587 . . . . 74.23 111.997 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -41.8 85.66 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.578 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -109.0 4.16 22.91 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.49 0.552 . . . . 42.3 112.49 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.64 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.56 -51.48 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 113.072 0.767 . . . . 74.41 113.072 -178.286 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.6 t80 -63.75 -51.68 63.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.998 0.519 . . . . 72.11 112.372 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.576 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.15 -39.48 93.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.716 0.636 . . . . 63.44 112.716 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.424 ' CD1' HG21 ' A' ' 60' ' ' VAL . 57.9 t-105 -65.4 -50.31 65.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.39 0.276 . . . . 73.13 111.348 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -64.13 -29.02 70.17 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.083 0.468 . . . . 73.14 110.949 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 52.7 tttt -65.09 -42.52 93.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.892 -1.049 . . . . 74.32 111.942 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.0 mm -84.51 -46.57 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 115.851 -0.613 . . . . 74.41 111.758 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -76.21 -29.97 57.81 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.724 0.638 . . . . 74.11 112.724 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.02 129.21 5.05 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.373 -0.441 . . . . 72.21 112.558 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.97 -150.33 6.07 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 121.541 -0.362 . . . . 72.31 112.536 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.3 m -128.17 142.52 51.16 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.62 0.247 . . . . 74.05 110.857 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.7 -158.45 11.28 Favored Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.812 -0.631 . . . . 65.43 112.659 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.68 -143.53 16.52 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 121.48 -0.39 . . . . 75.05 112.465 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.6 m -99.64 -42.45 6.88 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.584 0.226 . . . . 62.24 111.273 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.71 78.01 0.03 OUTLIER Glycine 0 C--N 1.34 0.796 0 O-C-N 123.491 0.494 . . . . 53.13 112.401 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -108.71 -125.58 5.21 Favored Glycine 0 C--N 1.338 0.665 0 C-N-CA 121.373 -0.441 . . . . 71.44 112.578 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.6 m -97.33 136.84 37.23 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.387 0.275 . . . . 75.44 110.98 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.65 55.22 0.96 Allowed Glycine 0 C--N 1.338 0.652 0 CA-C-N 115.785 -0.643 . . . . 73.23 112.438 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.44 110.91 0.3 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 121.457 -0.402 . . . . 72.21 112.511 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -123.83 144.34 49.79 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.318 0.247 . . . . 73.24 110.748 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -119.3 135.2 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 115.923 -0.58 . . . . 72.11 110.019 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.2 mmt -120.24 153.15 36.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.684 -0.689 . . . . 73.44 110.971 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 p -95.93 147.3 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.742 -0.663 . . . . 74.41 110.647 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.38 110.24 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 116.107 -0.497 . . . . 74.34 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 146.11 48.33 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.642 -0.708 . . . . 72.13 113.488 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.89 141.67 97.73 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-O 119.14 -0.457 . . . . 73.12 111.493 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.83 135.91 16.27 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.387 2.058 . . . . 72.51 112.697 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 95' ' ' GLY . 19.0 p -120.13 119.57 33.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.913 -0.585 . . . . 74.13 111.085 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 93' ' ' LEU . 2.3 pp -65.85 126.34 28.18 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.93 -0.577 . . . . 74.54 112.219 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 65.7 mtt 40.98 36.0 0.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.614 1.166 . . . . 54.4 113.558 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.464 ' O ' ' HB ' ' A' ' 92' ' ' THR . . . 97.79 -85.42 0.76 Allowed Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.021 -0.536 . . . . 70.51 112.584 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.06 -109.25 3.53 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.446 -0.407 . . . . 74.41 112.572 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.414 ' HB3' ' OD1' ' A' ' 100' ' ' ASP . 44.7 mt-10 -102.0 138.85 38.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.313 0.245 . . . . 65.14 110.773 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.13 -43.09 1.33 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.972 -0.558 . . . . 72.34 111.334 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.7 63.5 0.67 Allowed Glycine 0 C--N 1.34 0.779 0 O-C-N 123.387 0.43 . . . . 61.51 112.588 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 7.5 m-20 -130.86 11.48 5.16 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.744 0.307 . . . . 72.42 111.495 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.11 -28.51 21.24 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.13 -0.486 . . . . 72.23 111.979 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.61 -15.87 44.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.124 0.416 . . . . 71.35 112.124 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.9 -36.98 18.09 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.292 0.37 . . . . 75.34 111.718 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.4 ptm180 -87.8 -0.79 57.41 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.093 0.405 . . . . 74.03 112.093 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -92.27 -40.15 11.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.473 -0.331 . . . . 75.21 111.236 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 106' ' ' ILE . 2.2 pp -96.64 135.09 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.35 -0.386 . . . . 74.41 111.43 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -139.43 148.76 43.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.88 -0.6 . . . . 74.35 111.14 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -101.79 133.2 46.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.9 -0.591 . . . . 73.34 110.86 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -129.0 148.02 50.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.854 -0.612 . . . . 71.01 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.78 145.45 28.5 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.856 -0.611 . . . . 74.35 110.861 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -110.47 -42.59 4.06 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.621 0.576 . . . . 73.5 111.279 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 p -99.29 137.5 37.7 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.364 0.415 . . . . 73.42 111.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -128.29 142.21 51.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.859 -0.61 . . . . 74.12 110.802 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -103.21 -40.0 6.61 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.861 -0.609 . . . . 74.15 111.358 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 63.67 127.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.922 0.889 . . . . 75.03 111.938 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.06 149.14 23.32 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.792 -0.64 . . . . 71.34 111.303 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -97.22 -10.97 24.79 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.805 -0.634 . . . . 72.43 111.896 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 63.98 125.07 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.975 0.91 . . . . 73.4 111.871 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.43 105.57 0.22 Allowed Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.732 -0.667 . . . . 71.42 112.474 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.2 pp -96.69 -10.43 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 112.093 0.405 . . . . 74.12 112.093 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.96 -42.48 8.63 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.328 0.393 . . . . 74.34 111.334 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -129.13 130.94 47.06 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.409 0.443 . . . . 75.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.087 -0.959 . . . . 75.3 110.779 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 111.341 0.126 . . . . 74.15 111.341 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -98.52 132.02 44.28 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.398 0.436 . . . . 73.21 110.92 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -65.7 -39.09 90.9 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.962 -0.563 . . . . 71.44 111.9 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 mp -97.76 143.34 28.5 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.435 0.459 . . . . 73.23 110.838 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -128.78 152.37 48.54 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.952 -0.567 . . . . 72.22 110.918 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.4 -85.94 1.65 Allowed Glycine 0 C--N 1.339 0.7 0 CA-C-N 115.859 -0.61 . . . . 72.24 112.62 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' A' ' 18' ' ' ILE . 3.5 tt0 -128.16 161.92 28.14 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.758 0.313 . . . . 75.2 110.957 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -93.91 -12.12 29.53 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.715 -0.675 . . . . 71.04 111.627 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.546 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -97.24 91.76 1.25 Allowed Glycine 0 C--N 1.34 0.792 0 C-N-CA 121.486 -0.388 . . . . 63.22 112.846 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.02 158.13 30.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.695 0.398 . . . . 75.44 110.269 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 41.9 t -77.68 136.14 38.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.176 0.512 . . . . 74.54 112.064 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -66.07 -37.02 84.76 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.795 -1.093 . . . . 65.22 112.934 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 p -89.01 -52.18 5.21 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.316 0.385 . . . . 73.32 111.951 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.8 p -105.7 158.57 16.62 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.25 0.344 . . . . 73.22 110.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.7 49.52 1.68 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.396 0.617 . . . . 63.35 110.683 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -120.63 131.9 54.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.287 -0.87 . . . . 75.41 110.053 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -65.78 136.36 56.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.834 -0.621 . . . . 73.24 112.247 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 14.3 mt -72.42 142.36 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.686 -0.688 . . . . 74.1 109.87 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -128.37 -178.01 4.39 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.902 0.334 . . . . 73.25 111.902 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.55 ' N ' ' HE2' ' A' ' 94' ' ' MET . . . -67.79 -26.29 66.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.183 0.593 . . . . 73.32 112.477 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -74.58 -30.94 61.9 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.416 0.447 . . . . 64.44 110.712 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.733 ' O ' HD21 ' A' ' 34' ' ' LEU . 4.5 mm-40 -72.59 -45.76 57.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.756 -0.656 . . . . 64.3 112.555 -177.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.509 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 64.7 mtt 46.43 88.04 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.351 0.596 . . . . 73.45 110.659 -179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.5 p -104.34 157.43 17.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 74.24 111.876 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.508 ' SD ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -104.51 167.9 9.43 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.511 -0.768 . . . . 73.33 110.849 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -82.44 115.57 21.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.866 0.365 . . . . 75.34 111.195 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.53 HG11 ' H ' ' A' ' 28' ' ' LYS . 2.0 t -99.51 -179.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 115.511 -0.768 . . . . 71.34 109.767 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' H ' HG11 ' A' ' 27' ' ' VAL . 96.8 mttt -49.86 -66.45 0.39 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.616 0.969 . . . . 71.52 113.616 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.3 -46.19 2.41 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.922 0.342 . . . . 72.31 111.922 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.514 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 35.5 mtmt -118.02 153.3 33.92 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.378 0.424 . . . . 74.21 111.467 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.92 146.44 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.938 -0.573 . . . . 72.34 110.008 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 27.5 m-85 -124.49 145.63 49.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.02 -0.536 . . . . 73.03 111.534 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 10.6 m80 -65.78 159.21 25.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.028 0.531 . . . . 74.32 110.911 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.733 HD21 ' O ' ' A' ' 22' ' ' GLU . 3.5 pp -65.07 -47.65 76.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.45 0.167 . . . . 74.42 110.635 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.82 -28.96 69.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.995 -0.548 . . . . 74.12 111.686 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 15.5 m -89.12 -6.28 57.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.03 -0.532 . . . . 64.13 111.814 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -89.6 55.63 3.28 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.464 0.649 . . . . 74.33 110.248 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.97 161.89 20.83 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.277 -0.874 . . . . 74.22 111.701 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 32.5 t -66.12 147.03 53.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.712 -0.677 . . . . 74.45 111.815 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.77 -6.87 35.2 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.049 -0.523 . . . . 65.45 111.933 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' HB1' ' OD2' ' A' ' 64' ' ' ASP . . . -101.12 -47.68 4.66 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 111.89 0.33 . . . . 62.42 111.89 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.4 p -113.28 -3.33 13.85 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.867 0.321 . . . . 72.25 111.867 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 65.18 12.43 8.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.101 0.961 . . . . 74.42 113.102 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.5 tttm -65.96 163.08 17.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.633 0.373 . . . . 72.43 111.409 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -102.05 152.96 20.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.469 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 21.2 m-85 -105.95 141.55 37.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.718 -0.674 . . . . 74.55 111.191 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 p -120.65 161.42 21.41 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.344 -0.844 . . . . 65.21 111.115 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.61 136.04 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 112.295 0.48 . . . . 74.21 112.295 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -27.05 15.43 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.908 -0.587 . . . . 73.41 113.326 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.89 149.54 21.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.627 0.251 . . . . 71.24 111.283 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -83.04 138.7 33.63 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.78 -0.645 . . . . 74.23 111.282 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -128.94 154.06 46.93 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.545 0.528 . . . . 65.34 111.42 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 128.68 56.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.709 -0.678 . . . . 72.44 109.7 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.73 112.25 24.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.894 -0.594 . . . . 61.4 110.459 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.6 HG21 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -90.99 176.18 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.704 -0.68 . . . . 73.45 110.81 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -47.91 -34.16 8.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.953 1.094 . . . . 75.13 113.953 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.5 t -120.01 -58.76 1.85 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.826 0.676 . . . . 70.43 112.826 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.6 ' O ' HG21 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.21 -163.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.197 0.443 . . . . 75.52 112.197 -178.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.576 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -106.73 140.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 122.813 0.445 . . . . 75.25 110.144 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 68' ' ' TRP . 12.0 t -120.6 127.41 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.901 -0.591 . . . . 75.51 110.181 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 p -65.26 159.3 24.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.883 -0.598 . . . . 72.41 112.162 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.649 ' O ' HG21 ' A' ' 65' ' ' ILE . 43.3 mt-10 -62.09 -21.21 64.79 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.011 -0.54 . . . . 74.23 111.8 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -67.16 -40.96 86.74 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.282 -0.417 . . . . 75.13 111.599 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.428 ' OD2' ' HB1' ' A' ' 41' ' ' ALA . 8.3 m-20 -110.38 6.18 22.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.709 0.633 . . . . 42.3 112.709 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.54 -54.35 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.254 0.835 . . . . 74.41 113.254 -178.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 52.7 t80 -58.57 -53.74 54.98 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.683 0.623 . . . . 72.11 112.683 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.577 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.2 mt-10 -65.07 -39.79 93.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.927 0.714 . . . . 63.44 112.927 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.487 ' CD1' HG22 ' A' ' 60' ' ' VAL . 55.4 t-105 -65.55 -54.52 26.79 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.63 0.372 . . . . 73.13 111.784 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.5 p -61.52 -29.57 70.08 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.091 0.472 . . . . 73.14 111.529 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 34.4 tttp -65.52 -38.7 90.44 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.186 -0.915 . . . . 74.32 112.633 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 67' ' ' GLU . 15.0 mm -84.51 -47.66 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.05 0.759 . . . . 74.41 113.05 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -94.85 -29.99 14.43 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.325 0.861 . . . . 74.11 113.325 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.12 131.8 10.96 Favored Glycine 0 C--N 1.338 0.662 0 C-N-CA 121.065 -0.588 . . . . 72.21 112.84 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.95 -55.08 0.38 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.551 -0.357 . . . . 72.31 112.469 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.9 p -128.02 134.1 49.2 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.634 0.255 . . . . 74.05 110.881 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -158.9 -142.93 3.52 Favored Glycine 0 C--N 1.337 0.606 0 CA-C-N 115.921 -0.581 . . . . 65.43 112.53 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.68 143.39 16.03 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.411 -0.423 . . . . 75.05 112.503 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m 70.68 -51.07 0.67 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.521 1.128 . . . . 62.24 112.4 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.96 -151.04 22.21 Favored Glycine 0 C--N 1.34 0.765 0 C-N-CA 121.434 -0.413 . . . . 53.13 112.558 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.26 152.43 23.74 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 121.479 -0.391 . . . . 71.44 112.518 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.0 m -124.56 -42.34 2.09 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 122.246 0.218 . . . . 75.44 111.296 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.29 159.97 9.74 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 123.45 0.469 . . . . 73.23 112.625 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.81 135.76 8.13 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 121.45 -0.405 . . . . 72.21 112.579 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.18 150.65 22.3 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 122.343 0.257 . . . . 73.24 110.922 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.05 131.98 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.981 -0.554 . . . . 72.11 110.13 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -120.2 157.51 28.92 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.654 -0.703 . . . . 73.44 111.184 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.14 152.1 3.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.83 -0.623 . . . . 74.41 110.386 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.19 110.06 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 120.955 0.407 . . . . 74.34 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' A' ' 25' ' ' MET . . . -66.39 154.19 51.94 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.406 -0.815 . . . . 72.13 113.916 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.3 138.79 96.04 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 118.947 -0.549 . . . . 73.12 110.914 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HB3' ' O ' ' A' ' 23' ' ' MET . 3.8 Cg_exo -77.19 149.29 28.07 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.257 1.971 . . . . 72.51 112.809 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 t -120.36 128.25 53.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.359 0.599 . . . . 74.13 111.508 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.1 109.84 2.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.424 -1.262 . . . . 74.54 111.587 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.55 ' HE2' ' N ' ' A' ' 20' ' ' ALA . 16.2 mmt 40.79 105.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.668 1.187 . . . . 54.4 113.848 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.06 -162.64 13.08 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.593 -0.731 . . . . 70.51 112.791 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.73 -129.78 6.8 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 121.49 -0.386 . . . . 74.41 112.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' HG2' ' OE2' ' A' ' 101' ' ' GLU . 41.2 mt-10 -97.92 140.15 32.7 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 122.283 0.233 . . . . 65.14 111.058 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -98.42 -41.75 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.869 -0.605 . . . . 72.34 111.16 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.2 -121.25 4.27 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 123.491 0.494 . . . . 61.51 112.468 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.48 ' OD1' ' HB2' ' A' ' 103' ' ' GLU . 3.1 t70 -147.55 97.06 2.78 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.247 0.546 . . . . 72.42 110.074 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.4 mp0 -82.75 -18.94 38.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.287 -0.869 . . . . 72.23 112.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.46 -19.62 33.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.099 0.407 . . . . 71.35 112.099 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.48 ' HB2' ' OD1' ' A' ' 100' ' ' ASP . 2.9 tp10 -87.23 -39.61 15.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.5 -0.318 . . . . 75.34 111.44 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 37.6 ptt180 -87.36 8.1 25.96 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.441 0.463 . . . . 74.03 112.141 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.8 tp -92.66 -42.47 9.61 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.32 -0.4 . . . . 75.21 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.87 173.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 125.001 1.32 . . . . 74.41 114.057 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.7 p -111.96 147.86 34.99 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.934 -0.576 . . . . 74.35 111.107 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -104.92 148.63 26.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.908 -0.587 . . . . 73.34 110.671 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.08 146.57 26.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.843 -0.617 . . . . 71.01 110.94 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 149.86 33.14 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.876 -0.602 . . . . 74.35 110.929 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -99.21 144.92 27.78 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.863 -0.608 . . . . 73.5 110.823 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -111.66 147.01 36.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.863 -0.608 . . . . 73.42 111.1 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.79 144.84 44.98 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 74.12 110.517 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -128.21 150.56 49.97 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.951 -0.568 . . . . 74.15 110.991 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 62.97 125.25 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.985 0.914 . . . . 75.03 112.09 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.26 -40.27 5.45 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.761 -0.654 . . . . 71.34 111.438 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -95.94 -37.96 10.46 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.438 0.461 . . . . 72.43 111.552 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 18.7 m120 63.65 126.18 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.981 0.912 . . . . 73.4 112.02 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.43 161.75 30.3 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.733 -0.667 . . . . 71.42 112.606 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 121' ' ' ASP . 1.4 pp -107.52 -39.68 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 111.779 0.289 . . . . 74.12 111.779 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.47 ' N ' HD12 ' A' ' 120' ' ' ILE . 11.3 m-20 -133.64 -42.32 0.84 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.235 0.335 . . . . 74.34 111.118 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -102.07 129.79 48.48 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.301 -0.409 . . . . 75.0 110.499 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 N--CA 1.484 1.232 0 C-N-CA 123.884 0.873 . . . . 75.3 112.037 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.302 0.096 . . . . 74.15 111.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.1 mt -122.32 -42.18 2.37 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.409 0.443 . . . . 73.21 111.259 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 40.49 105.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.909 1.284 . . . . 71.44 113.797 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.47 -42.32 8.15 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.543 -0.753 . . . . 73.23 111.263 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -103.47 141.88 35.22 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.37 0.419 . . . . 72.22 110.912 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.5 95.63 2.18 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.859 -0.61 . . . . 72.24 112.512 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 61.07 157.39 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.026 0.93 . . . . 75.2 112.588 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.9 -43.03 10.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.977 -0.556 . . . . 71.04 111.545 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.95 -36.82 1.93 Allowed Glycine 0 C--N 1.339 0.739 0 C-N-CA 121.366 -0.445 . . . . 63.22 112.968 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.2 157.87 18.37 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.32 0.248 . . . . 75.44 110.886 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.2 t -84.95 144.63 28.21 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.002 -0.545 . . . . 74.54 111.029 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -65.78 -37.37 86.13 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.433 0.901 . . . . 65.22 113.433 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -95.67 -53.75 3.61 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.032 0.382 . . . . 73.32 112.032 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 5.2 p -101.06 162.86 12.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.57 0.224 . . . . 73.22 111.205 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.13 49.03 1.37 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.356 0.598 . . . . 63.35 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.631 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 57.3 mttm -113.25 133.63 55.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.486 -0.779 . . . . 75.41 111.11 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -65.64 136.64 56.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.948 -0.569 . . . . 73.24 111.064 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt -84.92 115.62 27.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.101 -0.5 . . . . 74.1 110.726 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 15.5 ttm180 -100.89 -174.48 2.63 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.227 -0.897 . . . . 73.25 110.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.439 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . -69.86 -5.87 28.71 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.949 0.722 . . . . 73.32 112.949 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -87.76 -13.87 41.2 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.996 0.518 . . . . 64.44 111.387 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -43.65 -48.72 7.79 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.446 1.276 . . . . 64.3 114.446 -178.22 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.58 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 65.2 mtt 42.45 47.16 4.29 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.878 0.846 . . . . 73.45 110.663 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 22' ' ' GLU . 41.0 p -104.72 169.75 8.27 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.603 -1.18 . . . . 74.24 112.237 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -111.48 150.86 29.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.346 -0.843 . . . . 73.33 109.689 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 115.26 14.65 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.339 -0.391 . . . . 75.34 111.408 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.546 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.4 t -88.76 -179.16 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 115.59 -0.732 . . . . 71.34 109.916 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' H ' HG13 ' A' ' 27' ' ' VAL . 96.7 mttt -48.07 -67.06 0.31 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.789 1.033 . . . . 71.52 113.789 -178.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.37 -42.69 2.54 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.355 0.502 . . . . 72.31 112.355 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.7 mttt -109.99 150.89 27.85 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.24 0.337 . . . . 74.21 111.55 -178.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 t -104.84 137.6 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.768 -0.651 . . . . 72.34 109.632 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.437 ' CD2' ' HB1' ' A' ' 12' ' ' ALA . 28.4 m-85 -118.89 151.79 37.47 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.939 -0.573 . . . . 73.03 111.323 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m80 -65.37 163.76 15.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.089 0.555 . . . . 74.32 110.964 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 22' ' ' GLU . 3.2 pp -65.26 -47.44 76.7 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 110.089 -0.337 . . . . 74.42 110.089 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.67 -33.95 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.509 -0.769 . . . . 74.12 111.641 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.642 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 34.4 m -80.21 -0.4 36.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.744 -0.662 . . . . 64.13 112.252 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -92.25 55.58 2.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.613 0.721 . . . . 74.33 109.394 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -120.76 165.69 14.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.191 -0.913 . . . . 74.22 112.062 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.1 t -66.12 147.32 53.51 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.481 0.712 . . . . 74.45 112.069 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.77 -8.62 43.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.825 -0.625 . . . . 65.45 112.212 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.13 -50.66 3.31 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 62.42 112.11 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.2 p -107.43 -4.76 18.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.938 0.348 . . . . 72.25 111.938 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.527 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.6 mp0 64.61 12.07 7.21 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.012 0.925 . . . . 74.42 113.1 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.9 tttt -65.87 162.44 19.0 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.604 0.362 . . . . 72.43 111.236 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -99.83 148.71 24.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.109 -0.496 . . . . 71.44 111.186 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.496 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 10.8 m-85 -99.89 152.97 19.54 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.558 -0.746 . . . . 74.55 110.739 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -120.43 156.67 30.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.705 -0.679 . . . . 65.21 111.352 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.62 122.57 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 115.924 -0.58 . . . . 74.21 112.08 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.93 6.49 32.29 Favored Glycine 0 C--N 1.337 0.59 0 O-C-N 123.603 0.564 . . . . 73.41 113.43 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.9 153.22 28.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.76 0.28 . . . . 71.24 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -85.31 128.73 34.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.841 -0.618 . . . . 74.23 111.208 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -126.33 155.64 41.7 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.458 0.474 . . . . 65.34 111.419 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.39 128.73 56.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.693 -0.685 . . . . 72.44 109.899 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.83 106.91 18.86 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.965 -0.561 . . . . 61.4 110.213 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.31 175.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.648 -0.705 . . . . 73.45 110.94 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.409 ' H ' HG13 ' A' ' 55' ' ' ILE . 16.5 m-80 -48.0 -35.79 11.57 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.819 1.044 . . . . 75.13 113.819 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.635 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 52.7 p -108.44 -72.94 0.7 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.39 0.515 . . . . 70.43 112.39 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.635 ' H ' ' HG ' ' A' ' 57' ' ' SER . 6.0 m-20 -120.42 -164.68 1.12 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 111.638 0.236 . . . . 75.52 111.638 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -94.24 140.35 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 122.73 0.412 . . . . 75.25 110.398 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.6 t -120.49 127.17 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.88 -0.6 . . . . 75.51 109.961 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.21 158.75 25.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.14 0.576 . . . . 72.41 112.27 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 65' ' ' ILE . 10.8 tt0 -61.92 -21.55 64.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.9 -0.591 . . . . 74.23 111.654 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.02 -40.55 87.28 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.619 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.32 5.86 21.96 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.654 0.613 . . . . 42.3 112.654 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.644 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -56.37 -54.37 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.034 0.753 . . . . 74.41 113.034 -178.541 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.64 -52.31 66.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.078 0.551 . . . . 72.11 112.476 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.57 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -64.81 -44.21 90.61 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.607 0.595 . . . . 63.44 112.607 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.444 ' HE1' HG12 ' A' ' 55' ' ' ILE . 49.6 t-105 -65.18 -42.64 93.43 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.14 0.422 . . . . 73.13 112.14 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.0 p -67.07 -29.04 68.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.978 0.418 . . . . 73.14 111.228 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -58.56 -46.04 87.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.139 -0.937 . . . . 74.32 111.603 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.2 mp -85.07 -47.33 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.492 0.495 . . . . 74.41 111.182 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -77.77 5.28 9.78 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.703 -0.681 . . . . 74.11 112.821 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.01 66.68 0.54 Allowed Glycine 0 C--N 1.339 0.749 0 C-N-CA 121.437 -0.411 . . . . 72.21 112.398 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.82 149.17 4.9 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.482 -0.389 . . . . 72.31 112.503 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.2 p -98.08 -41.15 8.08 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.617 0.245 . . . . 74.05 111.37 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.74 85.85 0.16 Allowed Glycine 0 C--N 1.339 0.729 0 O-C-N 123.434 0.459 . . . . 65.43 112.496 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.01 -131.05 10.34 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.429 -0.415 . . . . 75.05 112.517 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.4 m -100.24 148.59 24.48 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.322 0.249 . . . . 62.24 110.968 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.9 -118.84 4.23 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.814 -0.63 . . . . 53.13 112.595 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -150.37 -102.62 0.25 Allowed Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.465 -0.397 . . . . 71.44 112.52 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 t -101.03 145.7 28.38 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.618 0.246 . . . . 75.44 110.767 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.59 -72.61 0.79 Allowed Glycine 0 C--N 1.337 0.628 0 CA-C-N 115.877 -0.601 . . . . 73.23 112.389 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.03 -171.09 40.25 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.472 -0.395 . . . . 72.21 112.702 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.53 145.43 29.61 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.629 0.252 . . . . 73.24 110.78 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.3 p -100.16 130.13 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.923 -0.58 . . . . 72.11 110.81 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.4 mtt -120.4 157.63 28.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.612 -0.722 . . . . 73.44 111.035 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.55 142.61 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.981 -0.554 . . . . 74.41 110.287 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.69 109.14 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.332 0.395 . . . . 74.34 110.953 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.56 164.74 45.02 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.601 -0.727 . . . . 72.13 113.426 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.3 157.85 80.04 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 119.118 -0.468 . . . . 73.12 111.799 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.58 ' HB3' ' O ' ' A' ' 23' ' ' MET . 5.3 Cg_exo -79.62 135.37 11.57 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.459 2.106 . . . . 72.51 112.569 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -120.32 111.41 17.74 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.519 0.512 . . . . 74.13 111.446 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.08 126.45 28.66 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.743 -0.662 . . . . 74.54 111.618 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 mmt 40.91 -82.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.752 1.221 . . . . 54.4 113.687 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.54 87.53 0.13 Allowed Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.586 -0.34 . . . . 70.51 112.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.81 139.64 8.36 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.48 -0.39 . . . . 74.41 112.472 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.9 115.75 31.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.877 0.37 . . . . 65.14 110.952 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.527 ' HB3' ' OE1' ' A' ' 101' ' ' GLU . 95.4 m-85 -131.09 86.13 2.34 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.576 -0.738 . . . . 72.34 110.305 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.01 48.46 0.94 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.196 -0.911 . . . . 61.51 112.884 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.68 4.14 3.88 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.919 0.39 . . . . 72.42 111.509 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.527 ' OE1' ' HB3' ' A' ' 98' ' ' PHE . 1.7 mp0 -88.3 -29.22 20.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.743 -0.662 . . . . 72.23 111.866 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.5 -13.98 50.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.361 0.504 . . . . 71.35 112.361 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -82.65 -36.8 25.7 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.556 0.342 . . . . 75.34 111.909 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -93.52 -9.75 37.26 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.317 0.385 . . . . 74.03 111.968 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.447 HD21 ' O ' ' A' ' 105' ' ' LEU . 2.2 tt -93.93 -15.27 25.12 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.185 0.303 . . . . 75.21 111.713 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pp -85.45 113.64 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 111.882 0.327 . . . . 74.41 111.882 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -144.82 151.67 39.13 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.631 -0.713 . . . . 74.35 110.838 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -109.19 114.66 28.57 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.087 -0.506 . . . . 73.34 110.764 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.17 149.61 48.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.689 -0.687 . . . . 71.01 110.798 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.56 125.49 51.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.939 -0.573 . . . . 74.35 110.686 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.52 128.97 40.42 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.895 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -120.15 146.49 45.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.824 -0.625 . . . . 73.42 111.038 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -126.13 124.41 40.48 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.618 0.574 . . . . 74.12 110.86 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -132.92 153.9 50.95 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.837 -0.619 . . . . 74.15 110.639 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -96.85 130.42 44.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.929 -0.578 . . . . 75.03 110.885 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.54 -36.51 2.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.887 -0.597 . . . . 71.34 111.645 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -90.4 -37.72 13.79 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.349 0.406 . . . . 72.43 111.854 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -95.12 129.46 42.21 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.388 0.43 . . . . 73.4 111.062 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 145.08 65.97 0.02 OUTLIER Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.827 -0.624 . . . . 71.42 112.455 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -119.93 151.73 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 O-C-N 123.615 0.244 . . . . 74.12 111.395 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.35 143.11 50.97 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.825 -0.625 . . . . 74.34 110.852 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -101.04 136.07 41.49 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.883 -0.598 . . . . 75.0 110.79 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.46 -0.781 . . . . 75.3 110.798 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.36 0.124 . . . . 74.15 111.309 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.7 mt 63.99 136.34 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.986 0.914 . . . . 73.21 112.104 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.67 147.35 53.54 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.777 -0.647 . . . . 71.44 111.949 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -104.27 -9.77 18.34 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.816 -0.629 . . . . 73.23 111.729 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -90.47 156.15 18.4 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.467 -0.333 . . . . 72.22 111.263 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.57 -100.33 1.18 Allowed Glycine 0 C--N 1.341 0.828 0 CA-C-N 115.93 -0.577 . . . . 72.24 112.758 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -128.59 137.84 51.91 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.949 0.404 . . . . 75.2 111.557 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -94.68 -8.23 38.42 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.174 -0.921 . . . . 71.04 110.644 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -89.63 89.27 1.54 Allowed Glycine 0 C--N 1.339 0.742 0 CA-C-N 115.349 -0.841 . . . . 63.22 112.547 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.45 159.19 2.9 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.729 0.812 . . . . 75.44 111.811 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.0 t -63.19 133.7 54.74 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.793 0.664 . . . . 74.54 112.793 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.565 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -66.12 -33.53 75.98 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.747 -1.115 . . . . 65.22 112.6 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -90.37 -53.31 4.5 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.391 0.432 . . . . 73.32 111.618 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.1 p -102.66 153.7 19.86 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 123.155 0.285 . . . . 73.22 110.54 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -91.27 55.79 2.93 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.339 0.59 . . . . 63.35 110.953 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -120.81 136.99 54.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 75.41 110.308 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.49 122.89 18.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.044 -0.525 . . . . 73.24 111.609 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 9' ' ' GLY . 65.0 mt -79.28 120.36 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 116.088 -0.505 . . . . 74.1 109.934 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -121.38 -174.26 2.81 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.576 -0.738 . . . . 73.25 111.168 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.44 -8.09 0.31 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.765 1.024 . . . . 73.32 113.765 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.436 ' HE2' ' OE1' ' A' ' 103' ' ' GLU . 58.0 t80 -75.66 -10.34 59.36 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.27 0.628 . . . . 64.44 111.35 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.39 156.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.91 0.862 . . . . 64.3 111.717 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.9 mtt -155.91 57.11 0.6 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.191 -1.822 . . . . 73.45 107.332 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' TYR . 48.8 p -113.02 171.56 7.47 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.023 -1.444 . . . . 74.24 112.106 -176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.36 164.8 11.73 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.551 -0.749 . . . . 73.33 110.164 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -87.69 120.82 29.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.85 0.357 . . . . 75.34 111.331 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.2 t -93.31 -178.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.343 -0.844 . . . . 71.34 109.677 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.507 ' H ' HG11 ' A' ' 27' ' ' VAL . 96.4 mttt -47.09 -66.91 0.33 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.83 1.048 . . . . 71.52 113.83 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.5 -44.95 2.44 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.26 0.467 . . . . 72.31 112.26 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -108.4 153.06 23.83 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 74.21 111.79 -178.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 149.69 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.684 -0.689 . . . . 72.34 109.75 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 45.8 m-85 -129.51 148.44 51.41 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.04 -0.527 . . . . 73.03 111.078 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.648 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 12.2 m80 -65.56 160.46 22.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.876 0.47 . . . . 74.32 111.33 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' H ' HD22 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -65.58 -46.75 78.2 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.221 0.326 . . . . 74.42 110.297 178.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.53 -32.14 73.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.529 -0.759 . . . . 74.12 111.558 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.648 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -84.91 -1.02 56.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 64.13 112.052 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -90.74 60.16 4.4 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.521 0.676 . . . . 74.33 110.304 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -120.46 163.24 18.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.234 -0.894 . . . . 74.22 111.637 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 27.4 t -66.13 147.5 53.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.044 -0.526 . . . . 74.45 112.056 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.6 -6.7 56.02 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 65.45 111.102 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.08 -41.14 3.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.787 -0.642 . . . . 62.42 111.64 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.4 m -105.43 -20.12 13.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.397 -0.365 . . . . 72.25 111.951 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.537 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.6 mp0 69.72 1.29 3.34 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.072 0.949 . . . . 74.42 111.974 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -66.36 164.95 15.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.304 0.642 . . . . 72.43 111.395 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -93.29 151.85 19.54 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.37 0.419 . . . . 71.44 111.039 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -98.33 151.11 20.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.663 -0.698 . . . . 74.55 111.112 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 t -120.54 156.25 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.397 -0.82 . . . . 65.21 110.961 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.73 136.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.965 -0.561 . . . . 74.21 111.639 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.91 -27.62 14.18 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.967 -0.56 . . . . 73.41 113.291 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.21 149.88 21.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.381 0.272 . . . . 71.24 111.289 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -85.02 141.21 30.46 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.941 -0.572 . . . . 74.23 111.226 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -128.5 156.16 43.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.046 -0.524 . . . . 65.34 111.421 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.49 ' O ' HG22 ' A' ' 59' ' ' ILE . 3.2 tp -113.87 131.02 56.42 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.705 -0.68 . . . . 72.44 109.7 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -94.92 107.0 19.02 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.936 -0.575 . . . . 61.4 110.182 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.81 175.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-N 115.734 -0.666 . . . . 73.45 110.962 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -48.03 -34.74 9.89 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.924 1.083 . . . . 75.13 113.924 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.3 m -120.18 -56.76 1.98 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.955 0.724 . . . . 70.43 112.955 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.595 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.27 -164.93 1.13 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.1 0.407 . . . . 75.52 112.1 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 53' ' ' LEU . 2.5 mp -109.02 142.93 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 122.905 0.482 . . . . 75.25 109.864 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.499 HG21 ' CD1' ' A' ' 68' ' ' TRP . 3.7 t -120.13 127.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.538 0.524 . . . . 75.51 110.099 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.46 158.93 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.984 -0.553 . . . . 72.41 112.201 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.575 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -58.73 -18.1 28.64 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.268 0.84 . . . . 74.23 113.268 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -65.66 -51.8 56.61 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.239 0.459 . . . . 75.13 112.239 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.73 15.12 22.12 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.089 0.403 . . . . 42.3 112.089 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.5 -47.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.055 0.542 . . . . 74.41 112.412 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.13 -50.93 64.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 122.959 0.504 . . . . 72.11 111.907 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.564 ' O ' HD11 ' A' ' 71' ' ' ILE . 8.8 mm-40 -65.04 -43.44 92.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.499 ' CD1' HG21 ' A' ' 60' ' ' VAL . 48.0 t-105 -63.63 -42.41 98.16 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.667 0.387 . . . . 73.13 111.846 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -67.16 -29.2 68.83 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.886 0.474 . . . . 73.14 111.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -59.04 -45.79 89.86 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.175 -0.92 . . . . 74.32 111.737 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.564 HD11 ' O ' ' A' ' 67' ' ' GLU . 3.3 mp -85.04 -47.33 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.046 -0.524 . . . . 74.41 111.214 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -78.22 5.19 10.81 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.857 0.688 . . . . 74.11 112.857 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -146.58 -151.82 5.5 Favored Glycine 0 C--N 1.338 0.658 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.616 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 153.83 -138.82 6.45 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.395 -0.431 . . . . 72.31 112.471 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 p -100.61 148.85 24.37 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.672 0.278 . . . . 74.05 111.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.03 -108.14 2.95 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 115.789 -0.641 . . . . 65.43 112.544 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.49 -145.46 4.41 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.482 -0.39 . . . . 75.05 112.507 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.0 m -100.71 140.52 34.87 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 123.616 0.245 . . . . 62.24 110.947 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.54 -60.84 0.52 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.901 -0.59 . . . . 53.13 112.537 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.82 115.43 0.7 Allowed Glycine 0 C--N 1.337 0.605 0 C-N-CA 121.428 -0.415 . . . . 71.44 112.444 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.6 m -100.75 131.97 46.38 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.285 0.234 . . . . 75.44 110.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.24 110.36 0.44 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.89 -0.595 . . . . 73.23 112.499 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.84 126.7 8.79 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.544 -0.36 . . . . 72.21 112.493 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.99 141.77 33.41 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.633 0.255 . . . . 73.24 110.89 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.51 143.4 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 115.929 -0.578 . . . . 72.11 109.95 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.05 149.18 42.6 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.662 0.601 . . . . 73.44 111.103 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.39 152.12 3.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.72 -0.673 . . . . 74.41 110.696 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.33 110.42 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.461 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 153.53 51.65 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 115.621 -0.718 . . . . 72.13 113.864 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.93 113.26 11.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 122.92 0.488 . . . . 73.12 111.557 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.03 157.85 46.76 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.511 2.141 . . . . 72.51 113.035 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.4 p -107.4 115.04 29.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.988 -0.551 . . . . 74.13 111.062 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.94 150.63 48.32 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.755 -0.657 . . . . 74.54 111.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -65.86 -44.16 86.23 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.941 -0.572 . . . . 54.4 111.797 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.0 100.42 2.11 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.421 0.451 . . . . 70.51 112.61 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.68 -80.78 0.17 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.389 -0.434 . . . . 74.41 112.597 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.33 147.7 25.5 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.327 0.251 . . . . 65.14 110.96 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -99.93 -43.23 6.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.883 -0.599 . . . . 72.34 111.188 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.82 -174.09 29.29 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.459 0.475 . . . . 61.51 112.652 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.36 86.64 2.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.317 0.579 . . . . 72.42 110.689 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.27 -30.89 19.32 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.327 -0.852 . . . . 72.23 112.071 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.45 -16.54 42.2 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.383 0.512 . . . . 71.35 112.383 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.436 ' OE1' ' HE2' ' A' ' 21' ' ' TYR . 3.0 tp10 -84.84 -2.84 58.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.22 0.325 . . . . 75.34 111.768 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -88.42 -15.11 36.31 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.457 -0.338 . . . . 74.03 111.739 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.6 tt -93.93 -32.82 13.73 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 123.302 0.376 . . . . 75.21 111.052 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.9 pp 44.62 107.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 124.935 1.294 . . . . 74.41 113.991 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -109.29 153.29 24.08 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.556 -0.747 . . . . 74.35 110.938 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.38 -48.09 5.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.498 0.499 . . . . 73.34 111.546 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp 63.33 148.75 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.958 0.903 . . . . 71.01 112.154 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.28 113.53 26.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.835 -0.621 . . . . 74.35 110.78 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 150.99 48.1 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.788 -0.642 . . . . 73.5 110.644 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -101.47 137.76 39.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.817 -0.628 . . . . 73.42 110.952 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -128.91 132.97 47.73 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.972 -0.558 . . . . 74.12 110.993 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -130.2 148.0 51.99 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.765 -0.652 . . . . 74.15 110.795 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.58 134.82 42.98 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.86 -0.609 . . . . 75.03 110.784 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.11 148.21 29.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.831 -0.622 . . . . 71.34 111.1 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.71 -42.5 7.2 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.887 -0.597 . . . . 72.43 111.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -119.19 137.85 53.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.305 -0.407 . . . . 73.4 110.938 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 142.86 86.61 0.09 OUTLIER Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.812 -0.631 . . . . 71.42 112.449 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -110.5 141.23 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 123.631 0.253 . . . . 74.12 111.321 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.98 135.55 51.33 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.885 -0.598 . . . . 74.34 110.908 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.43 131.45 48.44 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.649 0.593 . . . . 75.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.144 -0.932 . . . . 75.3 111.14 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.509 0.195 . . . . 74.15 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.77 124.06 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.875 0.87 . . . . 73.21 112.119 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -65.7 134.2 52.71 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.839 -0.619 . . . . 71.44 111.926 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 5' ' ' PHE . 1.6 tt -130.0 144.96 51.61 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.983 -0.553 . . . . 73.23 110.607 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.473 ' N ' HD23 ' A' ' 4' ' ' LEU . 86.2 m-85 -132.64 150.46 52.15 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.944 -0.571 . . . . 72.22 111.17 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.08 144.75 3.99 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.76 -0.655 . . . . 72.24 112.174 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.441 ' OE1' HG21 ' A' ' 18' ' ' ILE . 28.4 mt-30 -99.7 150.7 22.03 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.957 0.408 . . . . 75.2 111.61 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -105.31 -10.61 16.91 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.112 -0.949 . . . . 71.04 111.132 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.548 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -92.12 87.72 1.3 Allowed Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.155 -0.475 . . . . 63.22 112.371 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.66 158.59 34.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.16 0.584 . . . . 75.44 111.929 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 35.5 t -78.23 116.43 18.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.004 -0.544 . . . . 74.54 111.961 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.24 63.91 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.055 1.131 . . . . 65.22 114.055 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.2 p -94.41 -53.9 3.74 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.929 0.715 . . . . 73.32 112.929 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 p -95.9 -1.88 48.4 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.366 0.506 . . . . 73.22 112.366 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.78 35.38 26.15 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.644 0.778 . . . . 63.35 112.021 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -117.44 152.27 35.37 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.913 -0.585 . . . . 75.41 110.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -65.3 130.77 44.54 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.706 -0.679 . . . . 73.24 112.278 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 16.8 mt -80.11 126.59 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.486 -0.779 . . . . 74.1 110.151 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -110.49 -177.39 3.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.79 -0.641 . . . . 73.25 111.868 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.55 66.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.701 0.63 . . . . 73.32 112.701 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.86 -32.22 73.61 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.893 0.477 . . . . 64.44 111.435 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.582 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.9 mm-40 -70.72 -18.59 62.79 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.297 0.851 . . . . 64.3 113.297 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.7 mtm 36.62 97.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.743 0.817 . . . . 73.45 111.853 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 32' ' ' TYR . 17.7 p -103.69 150.11 24.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 74.24 112.271 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -100.58 158.92 15.57 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.689 -1.142 . . . . 73.33 110.141 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.74 108.44 16.79 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.044 0.449 . . . . 75.34 110.201 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.9 t -100.27 171.34 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.343 -0.844 . . . . 71.34 109.692 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' H ' HG13 ' A' ' 27' ' ' VAL . 89.3 mttt -53.85 -62.72 1.47 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.588 0.958 . . . . 71.52 113.588 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.48 -42.77 2.53 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.941 0.719 . . . . 72.31 112.941 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 69.9 mttt -115.41 139.14 50.28 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.41 0.522 . . . . 74.21 112.41 -177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 t -100.85 147.15 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.833 -0.803 . . . . 72.34 108.833 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 24' ' ' THR . 30.7 m-85 -134.32 151.49 51.27 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.478 0.548 . . . . 73.03 112.478 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.703 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 29.0 m80 -65.69 162.56 18.26 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.485 -0.779 . . . . 74.32 111.286 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 22' ' ' GLU . 4.1 pp -65.91 -47.46 74.67 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 117.65 0.204 . . . . 74.42 110.776 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' HD12 ' A' ' 34' ' ' LEU . 43.6 mt-10 -65.52 -23.33 66.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.097 -0.501 . . . . 74.12 111.645 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.703 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.1 m -91.3 -5.2 55.01 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.974 -0.557 . . . . 64.13 111.399 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -105.42 55.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.406 0.622 . . . . 74.33 110.072 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -120.82 159.18 25.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.41 -0.814 . . . . 74.22 111.733 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 48.6 t -66.13 147.26 53.61 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.871 -0.604 . . . . 74.45 112.037 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.02 -7.64 42.15 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.812 -0.631 . . . . 65.45 112.119 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB1' ' OD2' ' A' ' 64' ' ' ASP . . . -104.5 -50.63 3.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.092 0.404 . . . . 62.42 112.092 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.8 p -109.35 -4.25 16.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.92 10.39 6.15 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.133 0.973 . . . . 74.42 113.097 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.7 tttt -65.9 162.47 19.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.685 0.394 . . . . 72.43 111.392 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.82 152.89 18.25 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.998 -0.546 . . . . 71.44 110.954 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.443 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 14.9 m-85 -100.56 145.45 28.32 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 74.55 111.196 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.8 m -120.79 162.3 20.01 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.09 -0.959 . . . . 65.21 111.384 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.74 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.096 0.559 . . . . 74.21 112.355 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.02 -31.92 8.08 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.989 -0.55 . . . . 73.41 113.407 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.68 150.36 20.73 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.661 0.267 . . . . 71.24 111.349 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.55 144.42 26.34 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.76 -0.654 . . . . 74.23 111.058 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.13 154.71 41.03 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.505 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.492 ' O ' HG22 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -111.73 130.0 55.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.625 -0.716 . . . . 72.44 109.777 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -95.01 111.5 23.3 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.96 -0.563 . . . . 61.4 110.36 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.88 176.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.767 -0.651 . . . . 73.45 110.804 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -47.78 -34.62 8.76 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.851 1.056 . . . . 75.13 113.851 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.9 p -120.12 -56.9 1.98 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.851 0.685 . . . . 70.43 112.851 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.8 m-20 -120.3 -163.5 1.01 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.102 0.408 . . . . 75.52 112.102 -178.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -110.27 143.27 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 122.823 0.449 . . . . 75.25 109.941 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.505 HG22 ' CD1' ' A' ' 68' ' ' TRP . 7.8 t -120.35 130.13 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.103 -0.499 . . . . 75.51 110.162 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.0 p -65.47 158.02 27.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.98 -0.554 . . . . 72.41 112.338 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.651 ' O ' HG23 ' A' ' 65' ' ' ILE . 43.2 mt-10 -60.04 -22.74 63.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.058 0.543 . . . . 74.23 111.802 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.08 -40.37 86.96 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.166 -0.47 . . . . 75.13 111.559 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.419 ' OD2' ' HB1' ' A' ' 41' ' ' ALA . 13.4 m-20 -110.04 4.83 21.67 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.643 0.609 . . . . 42.3 112.643 -178.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.54 -54.0 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 113.191 0.811 . . . . 74.41 113.191 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.8 t80 -59.77 -53.06 62.36 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.607 0.595 . . . . 72.11 112.607 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.583 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.3 mt-10 -65.23 -40.62 94.3 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.758 0.651 . . . . 63.44 112.758 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.505 ' CD1' HG22 ' A' ' 60' ' ' VAL . 54.0 t-105 -65.45 -50.56 64.93 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.448 0.299 . . . . 73.13 111.615 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.7 p -63.56 -29.15 70.45 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.112 0.482 . . . . 73.14 111.072 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.4 tttt -65.12 -43.05 93.22 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.991 -1.004 . . . . 74.32 111.776 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.0 mm -84.74 -47.06 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.822 -0.627 . . . . 74.41 111.879 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -77.31 -30.01 53.93 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.768 0.655 . . . . 74.11 112.768 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.09 167.05 12.79 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.325 -0.464 . . . . 72.21 112.758 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.31 -125.96 5.72 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 121.473 -0.394 . . . . 72.31 112.481 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 t -127.22 -43.8 1.62 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.631 0.253 . . . . 74.05 111.107 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.12 124.14 5.1 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 116.304 -0.407 . . . . 65.43 112.465 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.15 126.68 1.85 Allowed Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.408 -0.425 . . . . 75.05 112.467 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.7 m 62.75 126.34 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.958 0.903 . . . . 62.24 112.1 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.89 -107.01 1.52 Allowed Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.762 -0.654 . . . . 53.13 112.503 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -148.19 119.74 1.12 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.485 -0.388 . . . . 71.44 112.512 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.2 m -127.95 130.94 49.24 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.588 0.229 . . . . 75.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -162.18 148.37 15.52 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 115.943 -0.572 . . . . 73.23 112.539 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.98 129.22 8.96 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.488 -0.387 . . . . 72.21 112.51 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -127.72 136.35 51.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.347 0.259 . . . . 73.24 110.515 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.37 148.6 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.887 -0.597 . . . . 72.11 110.022 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.09 143.08 48.33 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.677 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.6 t -99.69 136.86 29.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 123.49 0.494 . . . . 74.41 110.432 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.65 109.93 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 116.321 -0.4 . . . . 74.34 111.024 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.59 162.57 44.56 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 115.736 -0.665 . . . . 72.13 113.789 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.0 129.8 93.97 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.955 0.502 . . . . 73.12 112.063 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.47 141.55 31.72 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.354 2.036 . . . . 72.51 112.621 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 p -120.44 111.66 17.99 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.381 0.426 . . . . 74.13 111.447 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.08 116.51 7.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.959 -0.564 . . . . 74.54 111.793 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -66.21 -45.34 81.07 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.644 -0.707 . . . . 54.4 112.014 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.64 -95.47 0.16 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 116.135 -0.484 . . . . 70.51 112.381 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.89 105.94 0.86 Allowed Glycine 0 C--N 1.337 0.639 0 C-N-CA 121.376 -0.44 . . . . 74.41 112.597 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' HG3' ' CD2' ' A' ' 5' ' ' PHE . 17.8 mm-40 -133.59 154.38 50.92 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.412 0.285 . . . . 65.14 111.053 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.57 3.13 56.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.939 -0.573 . . . . 72.34 111.799 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.46 110.21 3.69 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 121.53 -0.366 . . . . 61.51 112.91 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -129.51 14.44 6.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.789 0.328 . . . . 72.42 111.394 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -87.87 -18.97 28.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.196 -0.456 . . . . 72.23 111.982 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.55 -18.85 34.36 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.168 0.432 . . . . 71.35 112.168 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.15 -23.87 26.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.059 0.392 . . . . 75.34 112.059 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -93.36 -14.34 26.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.32 -0.4 . . . . 74.03 111.625 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.18 -9.98 37.41 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.289 0.368 . . . . 75.21 111.755 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 mt 65.92 121.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.661 0.784 . . . . 74.41 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 p -139.94 -25.69 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.837 -0.619 . . . . 74.35 111.69 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 64.67 127.01 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.986 0.914 . . . . 73.34 111.902 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.24 -13.88 3.89 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.741 -0.663 . . . . 71.01 111.794 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -74.7 125.93 29.77 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.138 -1.392 . . . . 74.35 111.789 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -130.15 159.65 36.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.549 -0.75 . . . . 73.5 110.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.6 p -90.05 118.62 29.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.067 -0.515 . . . . 73.42 111.339 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -131.18 150.37 52.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.714 -0.675 . . . . 74.12 110.86 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -100.35 143.37 30.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.847 -0.615 . . . . 74.15 110.787 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -127.83 145.18 51.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.826 -0.625 . . . . 75.03 110.855 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -118.01 134.47 54.94 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.917 -0.583 . . . . 71.34 111.191 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.15 -42.72 6.59 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.863 -0.608 . . . . 72.43 111.42 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -108.64 143.85 37.16 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.401 0.438 . . . . 73.4 110.849 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.433 ' O ' HG13 ' A' ' 120' ' ' ILE . . . -109.4 -150.37 13.53 Favored Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.876 -0.602 . . . . 71.42 112.493 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 119' ' ' GLY . 2.1 pt 40.48 100.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.72 1.208 . . . . 74.12 113.798 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -122.25 127.15 49.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.647 -0.706 . . . . 74.34 111.028 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 62.79 125.86 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.955 0.902 . . . . 75.0 112.033 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.48 -0.772 . . . . 75.3 110.804 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.551 0.215 . . . . 74.15 110.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.1 142.64 50.58 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.931 -0.577 . . . . 73.21 110.883 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.69 150.38 48.57 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.903 -0.589 . . . . 71.44 111.858 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -116.95 149.96 39.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.847 -0.615 . . . . 73.23 110.975 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.75 150.08 48.01 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.886 -0.597 . . . . 72.22 110.894 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.86 -129.72 2.54 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.912 -0.585 . . . . 72.24 112.626 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 39.8 mt-30 -96.05 155.58 16.69 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.705 0.288 . . . . 75.2 111.338 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -99.69 -13.15 19.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.668 -0.696 . . . . 71.04 111.984 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.542 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -93.2 77.6 1.12 Allowed Glycine 0 C--N 1.341 0.817 0 C-N-CA 121.308 -0.472 . . . . 63.22 112.951 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 17' ' ' ARG . 4.0 pp -77.03 160.45 29.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.928 0.491 . . . . 75.44 111.676 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 18.7 t -57.53 136.83 56.76 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.141 0.793 . . . . 74.54 113.141 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.2 -30.15 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.758 -1.11 . . . . 65.22 111.537 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.1 t -93.45 -46.44 7.32 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.736 -0.666 . . . . 73.32 110.616 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.3 m -98.66 133.73 42.58 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 123.364 0.415 . . . . 73.22 110.236 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.13 50.74 1.8 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.508 0.671 . . . . 63.35 109.384 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -120.85 130.06 53.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.128 -0.942 . . . . 75.41 110.656 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.42 ' HA ' ' HB3' ' A' ' 10' ' ' LEU . 32.7 ptt180 -58.36 107.44 0.49 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.691 0.619 . . . . 73.24 111.154 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.542 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 10.0 mt -56.34 98.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-N 115.675 -0.693 . . . . 74.1 110.136 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 18.1 ttp180 -148.09 175.94 10.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.189 -0.914 . . . . 73.25 111.629 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . 56.1 -77.93 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.846 1.258 . . . . 73.32 113.915 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -80.06 -64.18 1.24 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 122.319 0.247 . . . . 64.44 111.056 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 33.55 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.703 1.201 . . . . 64.3 113.817 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.539 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 19.7 mmt 42.35 45.16 3.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.319 1.048 . . . . 73.45 112.609 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.472 ' HG1' ' N ' ' A' ' 25' ' ' MET . 7.6 t -113.13 173.41 6.4 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.21 -0.905 . . . . 74.24 111.385 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.472 ' N ' ' HG1' ' A' ' 24' ' ' THR . 9.4 tmm? -109.79 146.23 35.35 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.556 -0.747 . . . . 73.33 110.193 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -77.95 119.04 20.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.063 -0.517 . . . . 75.34 111.58 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.517 HG13 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -86.22 -178.92 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.437 -0.801 . . . . 71.34 109.862 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.517 ' H ' HG13 ' A' ' 27' ' ' VAL . 96.4 mttt -47.78 -66.51 0.39 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.496 0.925 . . . . 71.52 113.496 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.74 -38.75 2.81 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.107 0.41 . . . . 72.31 112.107 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 79.5 mttt -102.31 152.72 20.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.013 0.375 . . . . 74.21 112.013 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 p -118.58 141.99 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.796 -0.638 . . . . 72.34 109.765 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 42.4 m-85 -135.26 152.58 51.66 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.25 0.343 . . . . 73.03 111.603 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.846 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 23.9 m80 -65.47 168.16 7.71 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.111 -0.495 . . . . 74.32 110.34 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.69 -49.81 73.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.714 0.292 . . . . 74.42 110.608 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.79 -23.23 66.04 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.588 -0.733 . . . . 74.12 111.683 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.846 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 35.1 m -86.36 -1.57 57.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.643 -0.708 . . . . 64.13 112.088 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -95.54 54.82 1.62 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.554 0.692 . . . . 74.33 109.611 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.707 ' HZ3' HE22 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -121.72 159.86 25.72 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.213 -0.903 . . . . 74.22 112.216 -179.147 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 7.6 t -66.38 147.21 53.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.671 -0.695 . . . . 74.45 111.563 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.97 -9.16 28.83 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.17 -0.468 . . . . 65.45 111.994 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -99.32 -50.52 4.09 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.785 0.291 . . . . 62.42 111.785 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.5 p -106.39 -5.79 18.74 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.647 0.24 . . . . 72.25 111.647 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.707 HE22 ' HZ3' ' A' ' 38' ' ' LYS . 21.8 mm-40 65.86 8.96 5.69 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.315 1.046 . . . . 74.42 113.055 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.2 tttt -66.08 161.67 21.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.647 0.379 . . . . 72.43 111.428 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -102.87 147.13 27.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.998 -0.547 . . . . 71.44 110.772 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.526 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 15.1 m-85 -99.81 143.81 29.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.755 -0.657 . . . . 74.55 110.811 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 p -120.57 162.16 20.1 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 65.21 111.026 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.53 130.76 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.928 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.11 -14.87 36.88 Favored Glycine 0 C--N 1.337 0.596 0 O-C-N 123.636 0.585 . . . . 73.41 113.092 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.57 149.8 23.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.642 0.258 . . . . 71.24 110.842 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -86.63 136.88 32.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.906 -0.588 . . . . 74.23 111.236 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -128.72 155.82 44.47 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.03 -0.532 . . . . 65.34 111.405 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -119.99 121.2 38.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.51 -0.768 . . . . 72.44 109.381 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -86.29 115.31 23.75 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.912 -0.586 . . . . 61.4 111.015 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.47 176.37 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.404 -0.817 . . . . 73.45 110.597 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.3 m-80 -47.82 -34.92 9.32 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.679 0.992 . . . . 75.13 113.679 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.4 m -111.18 -67.72 0.98 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.578 0.584 . . . . 70.43 112.578 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.45 -165.09 1.15 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.992 0.367 . . . . 75.52 111.992 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -94.47 135.37 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 122.864 0.466 . . . . 75.25 110.417 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.79 122.69 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.005 -0.543 . . . . 75.51 110.342 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.13 160.86 20.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.054 0.541 . . . . 72.41 112.043 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.625 ' O ' HG21 ' A' ' 65' ' ' ILE . 42.8 mt-10 -64.12 -18.91 64.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.989 -0.551 . . . . 74.23 112.11 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -66.81 -44.76 80.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.336 -0.393 . . . . 75.13 111.829 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -110.9 13.19 22.2 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.352 0.501 . . . . 42.3 112.352 -179.035 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.625 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -59.32 -54.02 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 112.771 0.656 . . . . 74.41 112.771 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.694 ' HH ' ' HZ2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.64 -52.35 66.06 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.152 0.581 . . . . 72.11 112.344 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' HD11 ' A' ' 71' ' ' ILE . 42.0 mt-10 -63.73 -41.0 98.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.665 0.617 . . . . 63.44 112.665 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.1 -50.82 64.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.564 0.346 . . . . 73.13 111.368 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.2 p -62.85 -29.08 70.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.964 0.506 . . . . 73.14 111.288 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.694 ' HZ2' ' HH ' ' A' ' 66' ' ' TYR . 32.2 tttp -65.27 -38.53 90.57 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.113 -0.949 . . . . 74.32 112.801 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.455 HD11 ' O ' ' A' ' 67' ' ' GLU . 4.7 mt -84.15 -48.08 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 113.238 0.829 . . . . 74.41 113.238 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.07 -30.17 15.42 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.332 0.864 . . . . 74.11 113.332 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.69 155.01 8.76 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.974 -0.631 . . . . 72.21 112.719 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.82 -52.52 0.06 OUTLIER Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.57 -0.348 . . . . 72.31 112.419 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m 62.91 126.14 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.012 0.925 . . . . 74.05 112.112 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 81' ' ' SER . . . -141.56 -130.52 2.56 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.749 -0.66 . . . . 65.43 112.551 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.48 -96.2 0.19 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 121.455 -0.402 . . . . 75.05 112.511 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.1 m -98.52 139.81 33.71 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 122.348 0.259 . . . . 62.24 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.91 -107.26 2.85 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.894 -0.594 . . . . 53.13 112.485 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.93 -123.44 5.26 Favored Glycine 0 C--N 1.338 0.67 0 C-N-CA 121.452 -0.404 . . . . 71.44 112.54 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' HA3' ' A' ' 76' ' ' GLY . 46.5 p -99.07 -41.94 7.31 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.318 0.247 . . . . 75.44 111.412 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -126.49 -63.43 0.15 Allowed Glycine 0 C--N 1.341 0.806 0 O-C-N 123.491 0.495 . . . . 73.23 112.427 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.71 -138.39 2.46 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.477 -0.392 . . . . 72.21 112.445 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -101.45 139.92 36.46 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.607 0.241 . . . . 73.24 110.742 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.27 139.48 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.803 -0.635 . . . . 72.11 109.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 89.7 mtp -119.95 150.21 40.88 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.934 -0.575 . . . . 73.44 111.232 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.69 146.01 6.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.805 -0.634 . . . . 74.41 110.399 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.44 109.44 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 123.336 0.398 . . . . 74.34 111.005 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.4 162.99 46.58 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 115.594 -0.73 . . . . 72.13 113.423 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.05 156.92 82.88 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.105 -0.474 . . . . 73.12 111.59 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' MET . 4.4 Cg_exo -77.64 139.37 17.94 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.42 2.08 . . . . 72.51 112.58 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.17 111.46 17.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.072 -0.513 . . . . 74.13 111.217 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.4 pp -66.15 129.75 40.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.728 -0.669 . . . . 74.54 112.062 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 66.5 mtt 40.86 102.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.689 1.196 . . . . 54.4 113.577 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.24 -149.0 18.91 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.597 -0.729 . . . . 70.51 112.537 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.57 -110.96 0.27 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 121.416 -0.421 . . . . 74.41 112.573 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -99.7 149.73 23.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.332 0.253 . . . . 65.14 110.998 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -99.75 -43.0 6.61 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.781 -0.645 . . . . 72.34 111.213 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.86 75.07 0.05 OUTLIER Glycine 0 C--N 1.341 0.837 0 C-N-CA 121.38 -0.438 . . . . 61.51 112.537 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -128.32 11.16 6.36 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.797 0.332 . . . . 72.42 111.388 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.03 -24.89 23.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.011 -0.541 . . . . 72.23 111.884 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.49 -22.38 30.25 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.102 0.408 . . . . 71.35 112.102 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -87.16 -37.15 17.58 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.25 0.344 . . . . 75.34 111.643 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.11 13.18 21.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.394 0.434 . . . . 74.03 111.697 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.7 tt -90.0 -43.45 10.53 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.405 -0.361 . . . . 75.21 111.237 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.4 pp -99.67 109.13 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 123.321 0.388 . . . . 74.41 111.23 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.0 p -145.15 152.27 39.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.636 -0.711 . . . . 74.35 111.048 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -100.55 128.92 46.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.862 -0.608 . . . . 73.34 110.708 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.54 150.64 40.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.859 -0.61 . . . . 71.01 111.039 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.95 151.77 20.53 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.807 -0.633 . . . . 74.35 110.892 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -96.75 145.32 25.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.92 -0.582 . . . . 73.5 110.712 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.6 p 41.99 -177.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.817 1.247 . . . . 73.42 114.22 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -130.73 -43.37 1.11 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.165 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -109.32 127.27 54.18 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.378 0.424 . . . . 74.15 110.812 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -132.44 140.3 48.37 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.866 -0.606 . . . . 75.03 110.788 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.12 126.51 50.33 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 71.34 111.022 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.67 -42.91 5.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.848 -0.614 . . . . 72.43 111.522 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -100.38 147.08 26.22 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.416 0.448 . . . . 73.4 111.015 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -151.83 103.03 0.23 Allowed Glycine 0 C--N 1.337 0.586 0 CA-C-N 115.83 -0.623 . . . . 71.42 112.45 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -107.43 149.54 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.639 0.258 . . . . 74.12 111.365 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -128.21 131.18 48.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.923 -0.58 . . . . 74.34 110.76 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -99.73 -42.61 6.78 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.857 -0.61 . . . . 75.0 111.182 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.485 -0.769 . . . . 75.3 110.773 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.473 ' CD2' ' HG ' ' A' ' 2' ' ' LEU . 26.8 p90 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 111.707 0.262 . . . . 74.15 111.707 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.473 ' HG ' ' CD2' ' A' ' 1' ' ' TYR . 13.8 mt -94.87 135.41 36.4 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.332 0.395 . . . . 73.21 111.021 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 41.03 104.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.685 1.194 . . . . 71.44 113.603 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.413 HD13 ' NH1' ' A' ' 17' ' ' ARG . 3.2 pp -86.95 153.31 21.68 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.562 -0.744 . . . . 73.23 111.473 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -97.76 149.81 21.91 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.911 -0.586 . . . . 72.22 111.279 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.62 -159.75 31.22 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.803 -0.635 . . . . 72.24 112.624 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 19' ' ' ARG . 38.0 mt-30 -103.1 155.57 18.3 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.753 0.311 . . . . 75.2 111.211 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.02 -10.5 16.54 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.578 -0.737 . . . . 71.04 111.989 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.644 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -78.0 64.46 3.39 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 121.557 -0.354 . . . . 63.22 113.579 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -55.75 158.55 3.54 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.368 0.667 . . . . 75.44 111.903 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -74.12 133.8 42.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.972 0.415 . . . . 74.54 111.25 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.526 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.19 -24.08 66.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.526 -0.761 . . . . 65.22 111.563 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 t -97.28 -46.24 6.19 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.739 -0.664 . . . . 73.32 110.814 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.76 148.16 25.61 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.36 0.412 . . . . 73.22 110.982 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.87 46.42 1.36 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.578 -0.897 . . . . 63.35 108.578 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' C ' HD22 ' A' ' 10' ' ' LEU . 87.3 tttt -120.12 135.88 54.8 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.443 -1.253 . . . . 75.41 110.533 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' NH1' HD13 ' A' ' 4' ' ' LEU . 64.2 mtt180 -65.66 119.15 10.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.9 -0.591 . . . . 73.24 110.742 178.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.644 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 13.0 mt -71.54 97.9 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.128 0.49 . . . . 74.1 109.808 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.527 HH21 HH22 ' A' ' 104' ' ' ARG . 28.5 ptt180 -148.27 171.8 15.38 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.171 -0.922 . . . . 73.25 111.979 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 56.3 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.805 1.242 . . . . 73.32 113.835 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.452 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.9 t80 -76.84 -60.44 2.36 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.54 0.336 . . . . 64.44 110.742 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.643 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 30.38 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.276 1.43 . . . . 64.3 114.817 179.051 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.5 mtt 49.53 40.69 19.84 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.139 0.976 . . . . 73.45 112.538 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -116.44 169.02 9.64 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.56 -0.746 . . . . 74.24 111.611 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.25 167.27 9.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.44 -0.8 . . . . 73.33 110.928 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -86.75 122.55 30.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.337 -0.392 . . . . 75.34 111.364 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.2 t -97.08 -179.02 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.683 -0.69 . . . . 71.34 109.474 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' H ' HG11 ' A' ' 27' ' ' VAL . 96.4 mttt -48.39 -66.82 0.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.773 1.027 . . . . 71.52 113.773 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.38 -42.74 2.54 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.466 0.543 . . . . 72.31 112.466 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 73.5 mttt -108.64 153.93 22.71 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.269 0.355 . . . . 74.21 111.655 -178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -112.67 138.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.9 -0.591 . . . . 72.34 109.817 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 32.9 m-85 -117.85 150.44 39.17 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.052 -0.522 . . . . 73.03 111.137 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.829 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 18.1 m80 -65.58 164.18 14.71 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.735 -0.469 . . . . 74.32 109.735 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.21 -47.61 76.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.696 0.225 . . . . 74.42 110.683 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.54 -24.88 66.43 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.962 -0.563 . . . . 74.12 111.385 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.829 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 37.0 m -86.26 -5.28 59.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.754 -0.657 . . . . 64.13 112.316 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -94.07 55.29 2.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.517 0.675 . . . . 74.33 110.388 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -121.37 160.73 23.43 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.183 -0.917 . . . . 74.22 111.747 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 23.3 t -66.15 146.95 54.05 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.215 0.606 . . . . 74.45 111.656 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.97 -6.52 38.78 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.433 0.458 . . . . 65.45 112.08 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.84 -48.99 3.91 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.911 0.337 . . . . 62.42 111.911 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.9 p -110.0 -4.2 16.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.752 0.279 . . . . 72.25 111.752 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 65.0 11.81 7.39 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.157 0.983 . . . . 74.42 113.079 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.0 tttt -65.94 162.4 19.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.56 0.344 . . . . 72.43 111.33 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -101.58 151.41 22.02 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.029 -0.532 . . . . 71.44 110.902 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.453 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 24.8 m-85 -104.98 136.59 44.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.73 -0.668 . . . . 74.55 111.015 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.57 165.48 14.95 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.294 -0.866 . . . . 65.21 111.07 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.68 140.57 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 122.934 0.494 . . . . 74.21 111.616 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.97 5.92 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 115.935 -0.575 . . . . 73.41 113.133 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.58 152.39 19.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.326 0.25 . . . . 71.24 111.277 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -88.22 142.92 27.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.4 153.56 46.95 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.066 -0.515 . . . . 65.34 111.314 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 tt -116.23 126.26 53.37 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.52 -0.763 . . . . 72.44 109.663 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -89.26 113.63 24.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.907 -0.588 . . . . 61.4 110.748 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.588 HG21 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.13 176.42 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-N 115.518 -0.764 . . . . 73.45 110.652 179.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -47.77 -33.94 7.83 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.882 1.067 . . . . 75.13 113.882 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.2 m -120.03 -57.88 1.91 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.852 0.686 . . . . 70.43 112.852 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.588 ' O ' HG21 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.33 -163.12 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.025 0.38 . . . . 75.52 112.025 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.557 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -105.52 138.68 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 122.86 0.464 . . . . 75.25 110.045 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.0 t -120.78 126.61 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 123.517 0.511 . . . . 75.51 110.384 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.25 159.36 23.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.885 -0.598 . . . . 72.41 111.929 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.637 ' O ' HG21 ' A' ' 65' ' ' ILE . 10.9 tt0 -63.11 -20.48 65.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.914 0.485 . . . . 74.23 111.647 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -67.02 -41.7 86.17 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.762 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.4 6.09 21.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.643 0.608 . . . . 42.3 112.643 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.637 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.21 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.223 0.823 . . . . 74.41 113.223 -178.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.82 -53.23 60.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.07 0.548 . . . . 72.11 112.478 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.12 -39.84 93.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.778 0.659 . . . . 63.44 112.778 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -65.5 -51.3 61.04 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.633 0.373 . . . . 73.13 111.76 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 p -64.33 -29.42 70.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.059 0.457 . . . . 73.14 111.367 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 31.6 tttp -65.56 -41.43 92.97 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.05 -0.977 . . . . 74.32 112.011 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 67' ' ' GLU . 14.0 mm -84.73 -46.95 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.09 -0.505 . . . . 74.41 111.702 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -76.81 -29.83 56.16 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.698 0.629 . . . . 74.11 112.698 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.78 -106.72 2.78 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.532 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.23 149.79 21.52 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.406 -0.426 . . . . 72.31 112.56 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.5 p -120.52 142.97 48.83 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.688 0.287 . . . . 74.05 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.4 -149.38 21.49 Favored Glycine 0 C--N 1.337 0.601 0 O-C-N 123.697 0.623 . . . . 65.43 112.488 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.11 55.34 0.35 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 121.403 -0.427 . . . . 75.05 112.507 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.4 p -100.61 -42.79 6.4 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.616 0.245 . . . . 62.24 111.271 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.47 84.53 1.31 Allowed Glycine 0 C--N 1.339 0.749 0 O-C-N 123.45 0.469 . . . . 53.13 112.513 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.88 -149.34 23.12 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 121.432 -0.414 . . . . 71.44 112.519 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.1 t -127.93 144.33 51.1 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.688 0.287 . . . . 75.44 110.724 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.29 -99.61 2.39 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.819 -0.628 . . . . 73.23 112.492 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 176.27 -149.78 10.09 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.429 -0.415 . . . . 72.21 112.527 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -121.72 144.48 48.77 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.624 0.249 . . . . 73.24 110.845 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.1 t -102.65 134.48 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 115.97 -0.559 . . . . 72.11 110.065 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -120.14 153.89 35.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.663 -0.699 . . . . 73.44 110.895 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.16 149.97 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.983 -0.553 . . . . 74.41 110.538 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.14 110.27 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.893 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.04 151.01 52.02 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.629 -0.714 . . . . 72.13 113.751 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.98 116.75 35.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 122.922 0.489 . . . . 73.12 111.616 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.9 152.97 80.03 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.511 2.141 . . . . 72.51 112.965 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -107.46 121.45 44.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.879 -0.6 . . . . 74.13 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.82 151.15 47.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.865 -0.607 . . . . 74.54 111.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.7 mmt 41.09 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.711 1.204 . . . . 54.4 113.585 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.88 55.03 0.56 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.534 -0.757 . . . . 70.51 112.42 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.93 151.72 5.59 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.515 -0.374 . . . . 74.41 112.51 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -124.11 150.31 45.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.716 0.293 . . . . 65.14 111.068 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 48.73 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.395 1.078 . . . . 72.34 112.685 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -127.16 -163.31 11.41 Favored Glycine 0 C--O 1.235 0.207 0 CA-C-N 114.319 -1.309 . . . . 61.51 112.543 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -133.87 85.65 2.22 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.285 0.564 . . . . 72.42 110.623 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -88.43 -32.92 18.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.377 -0.829 . . . . 72.23 111.968 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -84.39 -27.3 27.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.111 0.411 . . . . 71.35 112.111 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -87.07 -27.7 22.99 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.79 0.293 . . . . 75.34 111.79 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.527 HH22 HH21 ' A' ' 19' ' ' ARG . 79.2 mtp180 -92.15 -4.24 54.52 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.335 0.397 . . . . 74.03 111.904 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.6 tt -92.56 -43.48 9.12 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.532 -0.304 . . . . 75.21 111.144 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -99.06 125.77 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.324 0.39 . . . . 74.41 111.374 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 p -139.06 139.39 37.76 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.879 -0.6 . . . . 74.35 110.994 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -99.38 -43.3 6.62 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.953 -0.567 . . . . 73.34 111.272 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.2 146.58 45.07 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.289 0.368 . . . . 71.01 110.905 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.04 23.75 6.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.876 -0.602 . . . . 74.35 111.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.41 131.84 47.31 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.846 -0.615 . . . . 73.5 110.852 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -103.77 143.48 32.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.925 -0.58 . . . . 73.42 111.092 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -114.15 150.27 34.42 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.848 -0.615 . . . . 74.12 110.907 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -98.55 136.42 38.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.919 -0.582 . . . . 74.15 110.834 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.56 144.91 28.98 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.852 -0.613 . . . . 75.03 110.928 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.59 149.31 23.86 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.934 -0.575 . . . . 71.34 111.15 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.18 -42.24 7.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.929 -0.578 . . . . 72.43 111.448 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -121.36 136.46 54.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.314 -0.403 . . . . 73.4 110.825 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.02 -81.52 0.16 Allowed Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.9 -0.591 . . . . 71.42 112.483 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 120' ' ' ILE . 2.1 pp -109.58 136.47 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.682 0.283 . . . . 74.12 111.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.56 -42.94 1.43 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.883 -0.598 . . . . 74.34 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.01 131.14 52.92 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.406 0.441 . . . . 75.0 110.82 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.489 -0.767 . . . . 75.3 110.509 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.558 0.218 . . . . 74.15 110.548 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 mt -128.38 141.65 51.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.882 -0.599 . . . . 73.21 110.92 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -65.7 150.21 48.86 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.9 -0.591 . . . . 71.44 111.9 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mp -124.21 145.93 49.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.959 -0.564 . . . . 73.23 110.832 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -128.75 132.84 47.96 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.865 -0.607 . . . . 72.22 110.526 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.6 158.77 8.53 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.85 -0.614 . . . . 72.24 112.555 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.597 ' HG2' ' N ' ' A' ' 19' ' ' ARG . 64.2 mt-30 -117.56 178.42 4.4 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.533 0.196 . . . . 75.2 110.982 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.64 -15.05 0.83 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.539 0.94 . . . . 71.04 113.539 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.606 ' C ' ' H ' ' A' ' 18' ' ' ILE . . . -100.02 83.7 0.57 Allowed Glycine 0 C--N 1.34 0.774 0 N-CA-C 115.341 0.896 . . . . 63.22 115.341 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 3.7 mm? -51.98 122.92 9.25 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 117.237 0.518 . . . . 75.44 111.8 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.89 148.61 51.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.123 -0.944 . . . . 74.54 111.954 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -66.31 -36.52 83.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.327 -0.851 . . . . 65.22 111.799 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -96.03 -41.8 8.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.655 -0.702 . . . . 73.32 111.61 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -97.76 155.48 17.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.107 0.254 . . . . 73.22 110.867 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.6 27.41 2.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.256 0.55 . . . . 63.35 110.325 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -113.98 138.28 50.57 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.478 -0.783 . . . . 75.41 110.415 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.554 ' HD2' ' O ' ' A' ' 7' ' ' GLN . 44.2 mtt180 -66.03 155.85 35.47 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 115.629 -0.714 . . . . 73.24 111.209 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.606 ' H ' ' C ' ' A' ' 9' ' ' GLY . 78.2 mt -120.04 98.09 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 121.429 0.633 . . . . 74.1 112.402 -177.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.597 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -150.69 159.77 44.29 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.759 -1.11 . . . . 73.25 110.897 178.818 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.457 ' H ' ' HD3' ' A' ' 19' ' ' ARG . . . 51.08 -81.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 124.307 1.043 . . . . 73.32 113.807 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -64.79 -20.23 66.26 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.895 0.478 . . . . 64.44 110.838 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.587 ' OE2' ' HA ' ' A' ' 19' ' ' ARG . 4.2 pt-20 -29.05 -60.71 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.783 1.233 . . . . 64.3 113.874 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.826 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 25.6 mmt 40.46 68.23 0.43 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.851 0.834 . . . . 73.45 110.234 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.676 ' HG1' ' H ' ' A' ' 25' ' ' MET . 14.9 t -157.5 -173.79 4.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 114.6 -1.182 . . . . 74.24 110.081 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.676 ' H ' ' HG1' ' A' ' 24' ' ' THR . 3.1 ppp? -117.2 164.52 14.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.691 -0.404 . . . . 73.33 112.064 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.729 ' H ' ' H ' ' A' ' 90' ' ' GLU . 40.9 ttt180 -100.11 122.85 43.61 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 75.34 109.939 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.516 HG13 ' H ' ' A' ' 28' ' ' LYS . 1.4 t -89.96 -179.18 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.903 -0.59 . . . . 71.34 110.191 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' H ' HG13 ' A' ' 27' ' ' VAL . 89.6 mttt -48.59 -62.6 1.42 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.731 1.012 . . . . 71.52 113.731 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.59 -38.1 2.92 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.137 0.421 . . . . 72.31 112.137 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -99.99 154.2 18.58 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.523 0.515 . . . . 74.21 111.549 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -120.11 135.39 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.259 -0.645 . . . . 72.34 109.259 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 73.5 m-85 -123.24 146.6 47.71 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.455 0.472 . . . . 73.03 111.674 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.803 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 28.3 m80 -64.91 174.01 2.08 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.395 0.678 . . . . 74.32 111.831 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.674 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.5 pp -65.52 -47.03 77.35 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 109.946 -0.391 . . . . 74.42 109.946 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.14 -20.49 66.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.191 -0.913 . . . . 74.12 110.808 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.803 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 13.9 m -96.72 -4.48 40.65 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.251 -0.886 . . . . 64.13 112.238 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -115.41 58.96 0.72 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.375 0.607 . . . . 74.33 110.342 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -120.97 159.8 24.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.412 -0.813 . . . . 74.22 111.64 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.4 t -66.12 146.97 54.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.603 -0.726 . . . . 74.45 111.861 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.06 -1.35 57.8 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.923 -0.58 . . . . 65.45 111.988 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.29 -48.2 2.97 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.053 0.39 . . . . 62.42 112.053 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.1 p -110.37 -6.75 14.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.875 0.324 . . . . 72.25 111.875 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 17.8 mm-40 65.01 10.67 6.46 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.101 0.96 . . . . 74.42 112.998 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 63.1 tttt -65.9 161.7 20.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.698 0.399 . . . . 72.43 111.518 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -97.05 153.9 17.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.762 -0.654 . . . . 71.44 111.033 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.451 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 15.7 m-85 -102.6 148.66 25.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.931 -0.577 . . . . 74.55 111.13 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -121.15 161.45 21.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.995 -1.002 . . . . 65.21 111.85 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.83 136.4 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.87 -0.605 . . . . 74.21 112.422 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.44 6.14 58.75 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.95 -0.568 . . . . 73.41 113.586 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.493 ' O ' HG22 ' A' ' 88' ' ' VAL . 7.9 m-20 -119.62 147.57 44.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.798 0.299 . . . . 71.24 111.06 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -90.04 138.1 31.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.809 -0.632 . . . . 74.23 110.875 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.416 ' OH ' HG12 ' A' ' 27' ' ' VAL . 44.2 p90 -128.57 159.9 34.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.061 -0.518 . . . . 65.34 111.524 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tt -117.71 125.96 51.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.566 -0.743 . . . . 72.44 109.457 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 tt -91.11 110.83 22.11 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.961 -0.563 . . . . 61.4 110.462 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -88.38 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.557 -0.747 . . . . 73.45 110.875 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' H ' HG13 ' A' ' 55' ' ' ILE . 18.1 m-80 -47.95 -35.49 10.85 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.681 0.993 . . . . 75.13 113.681 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.5 m -107.79 -72.23 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.097 0.406 . . . . 70.43 112.097 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' HG23 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.39 -164.98 1.14 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.25 0.22 . . . . 75.52 111.538 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.578 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -95.66 142.73 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 122.679 0.391 . . . . 75.25 110.224 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.446 HG21 ' CD1' ' A' ' 68' ' ' TRP . 10.9 t -120.34 125.05 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 O-C-N 123.543 0.527 . . . . 75.51 109.999 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 p -62.83 157.28 21.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.139 0.575 . . . . 72.41 112.122 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.65 ' O ' HG23 ' A' ' 65' ' ' ILE . 43.1 mt-10 -60.9 -21.65 63.56 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.929 -0.578 . . . . 74.23 111.994 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -41.04 86.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.744 0.417 . . . . 75.13 111.691 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -110.44 5.83 21.68 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.666 0.617 . . . . 42.3 112.666 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.55 -53.62 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 113.141 0.793 . . . . 74.41 113.141 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.0 t80 -60.07 -52.87 63.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.582 0.586 . . . . 72.11 112.582 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.565 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.0 -39.18 93.08 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.781 0.66 . . . . 63.44 112.781 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.446 ' CD1' HG21 ' A' ' 60' ' ' VAL . 61.2 t-105 -65.4 -53.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.555 0.342 . . . . 73.13 111.255 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -61.39 -28.93 69.6 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.27 0.557 . . . . 73.14 111.166 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 58.0 tttt -65.1 -38.51 90.93 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.913 -1.039 . . . . 74.32 112.684 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.2 mm -84.19 -47.55 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 112.974 0.731 . . . . 74.41 112.974 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -92.75 -30.04 15.72 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 113.126 0.787 . . . . 74.11 113.126 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.17 -159.43 19.4 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.024 -0.608 . . . . 72.21 112.747 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.28 -54.95 0.08 OUTLIER Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.502 -0.38 . . . . 72.31 112.451 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.3 t -110.77 144.29 39.97 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.717 0.304 . . . . 74.05 110.69 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.97 92.7 1.95 Allowed Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.929 -0.578 . . . . 65.43 112.466 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.97 -89.4 0.16 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.464 -0.398 . . . . 75.05 112.47 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.8 m -99.79 -42.41 6.84 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.605 0.238 . . . . 62.24 111.236 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.21 -108.88 0.78 Allowed Glycine 0 C--N 1.34 0.799 0 O-C-N 123.47 0.481 . . . . 53.13 112.567 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.41 -101.54 1.49 Allowed Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.453 -0.403 . . . . 71.44 112.462 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.3 m -104.68 -43.45 5.13 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.662 0.272 . . . . 75.44 111.272 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.93 -73.45 0.53 Allowed Glycine 0 C--N 1.34 0.757 0 O-C-N 123.521 0.513 . . . . 73.23 112.524 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.3 55.08 0.19 Allowed Glycine 0 C--N 1.336 0.541 0 C-N-CA 121.537 -0.363 . . . . 72.21 112.455 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -120.75 146.16 46.78 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.62 0.247 . . . . 73.24 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 t -125.41 137.91 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.842 -0.617 . . . . 72.11 109.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.505 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 66.7 mtm -108.51 147.45 31.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.78 -0.646 . . . . 73.44 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.92 148.44 6.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.865 -0.607 . . . . 74.41 110.766 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 50' ' ' ASP . 96.8 t -58.99 109.82 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 115.712 -0.677 . . . . 74.34 111.375 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.525 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.42 -117.6 0.01 OUTLIER Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.138 -0.937 . . . . 72.13 114.92 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.729 ' H ' ' H ' ' A' ' 26' ' ' ARG . 11.0 mt-10 -49.96 164.58 0.35 Allowed Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 124.407 1.083 . . . . 73.12 112.513 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -83.3 147.14 12.69 Favored 'Trans proline' 0 C--N 1.375 1.935 0 N-CA-C 117.27 1.989 . . . . 72.51 117.27 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.75 ' HA ' ' C ' ' A' ' 23' ' ' MET . 7.5 t -102.17 164.63 11.59 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 111.527 -2.579 . . . . 74.13 107.615 174.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.826 ' H ' ' HB3' ' A' ' 23' ' ' MET . 5.4 tt -39.84 97.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.851 1.261 . . . . 74.54 112.774 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 tpp -66.46 -48.86 68.57 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.361 -1.29 . . . . 54.4 112.082 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -118.97 -85.58 0.99 Allowed Glycine 0 C--N 1.343 0.932 0 O-C-N 123.379 0.424 . . . . 70.51 112.988 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.31 -164.1 28.72 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 121.303 -0.475 . . . . 74.41 112.882 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -103.41 161.95 13.42 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.514 0.326 . . . . 65.14 110.982 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -87.47 -42.9 12.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.096 -0.502 . . . . 72.34 111.667 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.89 138.7 3.02 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 121.366 -0.445 . . . . 61.51 112.731 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -129.76 60.83 1.58 Allowed 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.478 0.656 . . . . 72.42 110.425 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -88.19 -23.04 23.7 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.345 -0.843 . . . . 72.23 112.176 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.66 -20.77 30.75 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.573 0.582 . . . . 71.35 112.573 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.12 -15.17 39.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.372 0.508 . . . . 75.34 112.372 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -89.61 -29.67 18.68 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.044 0.387 . . . . 74.03 112.044 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -41.76 10.84 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.394 0.434 . . . . 75.21 111.694 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.98 151.01 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 123.348 0.405 . . . . 74.41 111.51 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 p -127.17 125.11 40.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.897 -0.592 . . . . 74.35 110.973 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -105.42 138.5 41.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.907 -0.588 . . . . 73.34 110.867 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.55 140.42 51.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.875 -0.602 . . . . 71.01 110.975 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.01 143.92 32.54 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.846 -0.615 . . . . 74.35 110.804 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -128.69 142.53 50.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.879 -0.601 . . . . 73.5 110.866 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.2 t -103.33 -44.1 5.25 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.83 -0.623 . . . . 73.42 111.306 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -99.06 149.74 22.72 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.422 0.451 . . . . 74.12 110.975 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -98.01 -41.98 7.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.879 -0.601 . . . . 74.15 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.03 128.82 45.24 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 123.386 0.429 . . . . 75.03 110.989 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -127.66 -41.29 1.69 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.842 -0.617 . . . . 71.34 111.406 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -97.06 -37.97 9.94 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.464 0.477 . . . . 72.43 111.581 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 46.0 105.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.865 1.266 . . . . 73.4 113.433 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -168.01 149.61 14.72 Favored Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.53 -0.759 . . . . 71.42 112.407 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.12 133.24 42.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 120.592 0.235 . . . . 74.12 110.617 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -129.54 144.71 51.38 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.853 -0.612 . . . . 74.34 110.549 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -117.91 138.11 52.36 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.884 -0.598 . . . . 75.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.124 -0.941 . . . . 75.3 110.883 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.495 0.188 . . . . 74.15 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 3' ' ' ARG . 2.9 tt -127.43 120.47 28.48 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.94 -0.573 . . . . 73.21 110.506 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.445 ' O ' HD22 ' A' ' 2' ' ' LEU . 74.7 mtp180 -65.82 150.66 48.2 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.775 -0.648 . . . . 71.44 111.996 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -124.99 125.54 44.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.956 -0.565 . . . . 73.23 110.492 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -132.62 150.58 52.14 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.895 -0.593 . . . . 72.22 111.215 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.15 -55.44 0.25 Allowed Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.847 -0.615 . . . . 72.24 112.389 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -98.76 163.4 12.65 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 122.446 0.298 . . . . 75.2 110.766 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.81 -42.46 24.33 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.327 -0.397 . . . . 71.04 111.689 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.37 -13.04 67.36 Favored Glycine 0 C--N 1.34 0.792 0 O-C-N 123.444 0.465 . . . . 63.22 113.627 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.08 152.45 51.67 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.933 0.366 . . . . 75.44 111.476 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 t -95.06 114.13 25.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.51 -0.768 . . . . 74.54 110.128 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . . . -65.99 -6.35 12.41 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.961 1.097 . . . . 65.22 113.961 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -98.0 -53.68 3.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.923 0.342 . . . . 73.32 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 p -100.9 0.74 38.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.325 0.491 . . . . 73.22 112.325 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 57.28 28.87 15.86 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.687 0.795 . . . . 63.35 112.451 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -104.66 142.97 33.73 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.88 -0.6 . . . . 75.41 110.161 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -65.5 125.12 24.18 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.759 -0.655 . . . . 73.24 111.411 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 22' ' ' GLU . 64.1 mt -76.56 142.61 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 109.367 -0.605 . . . . 74.1 109.367 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -121.51 -174.4 2.85 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.453 0.47 . . . . 73.25 111.884 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -19.67 18.21 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.425 0.898 . . . . 73.32 113.425 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.614 ' O ' ' HG2' ' A' ' 23' ' ' MET . 66.3 t80 -68.7 -63.93 0.96 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.759 -0.459 . . . . 64.44 109.759 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.634 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 32.96 -71.12 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.874 1.805 . . . . 64.3 115.874 178.75 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 39.0 mmt 49.71 44.69 24.78 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.664 0.745 . . . . 73.45 110.826 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 22' ' ' GLU . 42.1 p -117.79 169.49 9.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.898 -1.046 . . . . 74.24 112.248 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.403 ' HE1' ' H ' ' A' ' 89' ' ' GLY . 2.3 ppp? -104.63 159.54 15.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.365 -0.834 . . . . 73.33 110.073 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -86.65 119.63 27.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.962 0.41 . . . . 75.34 111.391 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -91.69 -179.24 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 115.326 -0.852 . . . . 71.34 109.537 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.659 ' HE3' ' SD ' ' A' ' 86' ' ' MET . 86.6 mttt -53.43 -64.4 0.83 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.652 0.982 . . . . 71.52 113.652 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.63 -42.58 2.52 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 112.619 0.6 . . . . 72.31 112.619 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.9 mttt -108.89 141.76 40.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.242 0.46 . . . . 74.21 112.242 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.47 140.26 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.756 -0.831 . . . . 72.34 108.756 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 12' ' ' ALA . 36.5 m-85 -128.48 155.56 44.62 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.367 0.417 . . . . 73.03 111.51 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.662 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 19.8 m80 -65.42 157.92 28.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.977 0.511 . . . . 74.32 110.947 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 22' ' ' GLU . 3.3 pp -65.64 -45.62 82.36 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.775 0.322 . . . . 74.42 110.712 178.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.21 -27.1 67.72 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.523 -0.762 . . . . 74.12 111.51 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.662 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 29.1 m -89.08 -3.33 58.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.761 -0.654 . . . . 64.13 111.882 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -89.17 55.99 3.51 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.527 0.679 . . . . 74.33 110.171 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -120.68 163.41 18.11 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.118 -0.947 . . . . 74.22 111.748 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 33.7 t -65.91 147.02 54.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.439 0.695 . . . . 74.45 111.719 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.07 -12.0 34.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.872 0.693 . . . . 65.45 112.872 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.57 -50.38 3.59 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.29 0.478 . . . . 62.42 112.29 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.577 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 19.1 p -105.4 -5.2 20.6 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.864 0.32 . . . . 72.25 111.864 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.2 mm-40 64.87 11.98 7.4 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.198 0.999 . . . . 74.42 113.286 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.577 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 58.7 tttt -65.79 162.81 17.99 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.562 0.345 . . . . 72.43 111.309 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -99.33 153.02 19.3 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.156 -0.475 . . . . 71.44 111.14 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 15.1 m-85 -104.04 146.29 28.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.646 -0.706 . . . . 74.55 111.02 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 t -120.63 158.28 27.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.408 -0.815 . . . . 65.21 111.032 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.7 134.06 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.094 -0.503 . . . . 74.21 112.184 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -24.41 23.23 Favored Glycine 0 C--N 1.337 0.638 0 O-C-N 123.605 0.566 . . . . 73.41 113.374 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.04 152.67 19.16 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.364 0.266 . . . . 71.24 111.34 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -85.77 136.81 33.18 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.89 -0.595 . . . . 74.23 111.229 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -126.21 153.75 44.25 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.543 0.527 . . . . 65.34 111.344 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' O ' HG21 ' A' ' 59' ' ' ILE . 2.0 tp -112.67 131.31 55.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.707 -0.679 . . . . 72.44 109.644 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -94.59 110.58 22.38 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.568 0.543 . . . . 61.4 110.268 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.67 176.04 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 115.659 -0.7 . . . . 73.45 110.77 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -48.03 -35.05 10.38 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.772 1.027 . . . . 75.13 113.772 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.8 m -120.18 -56.55 1.99 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.825 0.676 . . . . 70.43 112.825 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.588 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.23 -161.3 0.87 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.017 0.377 . . . . 75.52 112.017 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -108.98 143.14 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 122.732 0.413 . . . . 75.25 110.272 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -120.22 125.64 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.906 -0.588 . . . . 75.51 110.081 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.497 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 8.4 p -65.57 158.54 26.81 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.072 -0.513 . . . . 72.41 112.181 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.558 ' O ' HG21 ' A' ' 65' ' ' ILE . 9.8 tt0 -63.6 -18.77 64.25 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.71 -0.677 . . . . 74.23 112.402 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -66.27 -52.66 45.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.331 0.493 . . . . 75.13 112.331 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -110.59 15.03 22.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.314 0.487 . . . . 42.3 112.314 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.558 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.28 -43.93 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.5 0.72 . . . . 74.41 112.877 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -62.06 -51.45 67.92 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.197 0.599 . . . . 72.11 112.305 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.589 ' O ' HD11 ' A' ' 71' ' ' ILE . 42.1 mt-10 -63.98 -42.13 97.31 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.604 0.594 . . . . 63.44 112.604 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.475 ' HE1' HG12 ' A' ' 55' ' ' ILE . 48.8 t-105 -65.2 -46.41 80.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.602 0.361 . . . . 73.13 111.917 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 p -65.26 -29.56 70.34 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.808 0.443 . . . . 73.14 111.717 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.37 -41.48 93.72 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.568 -0.742 . . . . 74.32 111.689 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.589 HD11 ' O ' ' A' ' 67' ' ' GLU . 3.4 mt -84.64 -47.29 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 123.411 0.444 . . . . 74.41 111.371 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -79.63 -0.91 35.78 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.845 -0.616 . . . . 74.11 112.569 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -125.48 -138.42 4.95 Favored Glycine 0 C--N 1.339 0.723 0 C-N-CA 121.375 -0.44 . . . . 72.21 112.533 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.56 109.31 0.42 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.398 -0.429 . . . . 72.31 112.514 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.0 m -128.29 131.12 48.7 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.659 0.27 . . . . 74.05 110.836 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.56 -82.25 0.04 OUTLIER Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.797 -0.638 . . . . 65.43 112.522 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.17 -55.37 0.01 OUTLIER Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.423 -0.418 . . . . 75.05 112.49 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -125.15 137.59 54.15 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.696 0.292 . . . . 62.24 110.741 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.65 -120.65 0.79 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.897 -0.592 . . . . 53.13 112.453 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.37 -150.6 5.48 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 121.42 -0.419 . . . . 71.44 112.485 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.5 m -128.06 145.17 51.08 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.647 0.263 . . . . 75.44 110.917 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.03 115.39 0.83 Allowed Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.814 -0.63 . . . . 73.23 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.02 97.68 0.13 Allowed Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.438 -0.41 . . . . 72.21 112.494 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -116.66 144.03 44.91 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 122.297 0.239 . . . . 73.24 110.548 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.89 145.77 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 115.905 -0.588 . . . . 72.11 110.029 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.659 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 5.6 mmt -119.35 150.95 39.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.883 -0.599 . . . . 73.44 110.973 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.31 142.42 14.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.01 -0.541 . . . . 74.41 110.359 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.46 110.26 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 123.444 0.465 . . . . 74.34 110.676 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.403 ' H ' ' HE1' ' A' ' 25' ' ' MET . . . -65.98 150.4 51.81 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.741 -0.663 . . . . 72.13 113.452 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.23 111.66 7.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.645 0.378 . . . . 73.12 111.584 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.89 162.29 32.83 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.408 2.072 . . . . 72.51 112.53 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -102.58 110.85 22.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 74.13 110.999 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.592 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 5.8 mp -66.65 150.73 48.62 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.485 -0.78 . . . . 74.54 112.047 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 8.7 ttt -65.9 -41.49 91.41 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.92 -0.582 . . . . 54.4 111.826 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.95 71.48 0.41 Allowed Glycine 0 C--N 1.34 0.759 0 CA-C-N 116.106 -0.497 . . . . 70.51 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.61 -47.89 0.04 OUTLIER Glycine 0 C--N 1.338 0.694 0 C-N-CA 121.35 -0.453 . . . . 74.41 112.75 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -95.8 149.33 21.63 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.311 0.245 . . . . 65.14 111.176 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.93 -41.21 5.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.761 -0.654 . . . . 72.34 111.177 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.68 133.79 8.15 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.473 0.483 . . . . 61.51 112.447 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -121.7 78.79 1.49 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.312 0.577 . . . . 72.42 110.747 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.48 -19.04 26.99 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.395 -0.82 . . . . 72.23 111.982 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 -23.8 29.95 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.392 0.516 . . . . 71.35 112.392 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.11 -29.33 21.92 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.891 0.33 . . . . 75.34 111.891 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -93.35 -1.79 55.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.273 0.358 . . . . 74.03 111.833 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.8 tt -94.95 -45.17 7.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.593 -0.276 . . . . 75.21 111.2 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -105.13 148.25 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 123.27 0.356 . . . . 74.41 111.433 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -140.15 148.07 41.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.653 -0.703 . . . . 74.35 110.92 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -126.71 148.63 49.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.904 -0.589 . . . . 73.34 111.002 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -122.38 149.2 44.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.785 -0.643 . . . . 71.01 110.929 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -118.03 147.5 43.16 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.992 -0.549 . . . . 74.35 111.058 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -123.39 143.99 49.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.793 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.4 p -120.03 -46.1 2.44 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.951 -0.568 . . . . 73.42 111.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -100.15 142.31 31.8 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.393 0.433 . . . . 74.12 110.993 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -128.61 144.11 51.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.854 -0.612 . . . . 74.15 110.486 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -120.67 145.29 47.59 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.923 -0.58 . . . . 75.03 110.923 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -116.85 143.02 46.18 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.929 -0.578 . . . . 71.34 111.126 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -101.25 -41.95 6.51 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.915 -0.584 . . . . 72.43 111.55 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -99.96 145.5 27.77 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.372 0.42 . . . . 73.4 110.622 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.12 -120.41 0.97 Allowed Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.827 -0.624 . . . . 71.42 112.464 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -110.01 140.65 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 122.32 0.248 . . . . 74.12 111.389 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.87 137.44 39.25 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.931 -0.577 . . . . 74.34 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -100.97 138.27 38.24 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.843 -0.617 . . . . 75.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.104 -0.951 . . . . 75.3 110.801 -179.885 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 111.27 0.1 . . . . 74.15 111.27 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 tp -100.59 124.45 46.18 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.374 0.421 . . . . 73.21 110.666 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -65.77 151.13 47.33 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.871 -0.604 . . . . 71.44 111.919 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mt -114.23 137.29 51.97 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.905 -0.589 . . . . 73.23 110.899 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -108.67 150.2 27.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.86 -0.609 . . . . 72.22 110.84 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.58 -119.65 0.67 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.951 -0.568 . . . . 72.24 112.746 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.44 ' OE1' HG11 ' A' ' 31' ' ' VAL . 46.4 mt-30 -95.79 173.01 7.68 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.527 0.331 . . . . 75.2 111.133 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.13 -43.72 51.09 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.336 -0.393 . . . . 71.04 111.676 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 17' ' ' ARG . . . 113.15 -18.54 21.16 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 121.188 -0.529 . . . . 63.22 113.912 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -123.43 150.23 44.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 117.151 0.476 . . . . 75.44 111.661 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -98.77 120.02 38.51 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.75 -0.659 . . . . 74.54 109.971 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -66.15 -6.23 12.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.403 1.26 . . . . 65.22 114.403 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -108.9 -53.94 2.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.469 0.544 . . . . 73.32 112.469 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.0 -2.74 42.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.274 0.472 . . . . 73.22 112.274 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 58.79 24.18 12.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.803 0.841 . . . . 63.35 112.768 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -100.9 147.05 26.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.512 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 86.5 mtt180 -65.33 121.34 14.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.918 -0.583 . . . . 73.24 111.063 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.543 HG12 ' NE2' ' A' ' 33' ' ' HIS . 85.9 mt -83.28 98.54 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.516 0.674 . . . . 74.1 110.106 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -147.82 154.08 40.01 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.354 -1.294 . . . . 73.25 111.442 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.18 -70.78 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.625 1.17 . . . . 73.32 113.939 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 6.1 t80 -59.09 -63.47 1.29 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.158 0.583 . . . . 64.44 111.601 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.551 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 29.14 -86.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.911 1.448 . . . . 64.3 114.911 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.722 ' HA ' ' O ' ' A' ' 92' ' ' THR . 43.9 mmm 53.93 26.27 6.12 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.453 0.701 . . . . 73.45 112.261 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.414 ' HG1' ' N ' ' A' ' 25' ' ' MET . 8.7 t -119.71 -179.98 4.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.066 -0.516 . . . . 74.24 111.955 -178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.414 ' N ' ' HG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -107.78 170.74 7.8 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.628 -0.715 . . . . 73.33 111.45 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -95.86 127.68 42.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 75.34 110.462 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.539 HG13 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.99 -178.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.829 -0.623 . . . . 71.34 109.716 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' H ' HG13 ' A' ' 27' ' ' VAL . 96.1 mttt -43.75 -66.14 0.42 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.838 1.051 . . . . 71.52 113.838 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.4 -41.74 2.59 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.235 0.458 . . . . 72.31 112.235 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.5 mttt -102.36 151.73 21.91 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.301 0.376 . . . . 74.21 111.533 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.44 HG11 ' OE1' ' A' ' 7' ' ' GLN . 4.3 t -109.0 131.98 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.813 -0.63 . . . . 72.34 109.462 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 85.9 m-85 -121.15 145.33 47.93 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.473 0.483 . . . . 73.03 111.597 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.698 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.9 m80 -65.51 165.95 11.29 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.897 -0.592 . . . . 74.32 111.13 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -65.43 -48.7 71.86 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.613 0.244 . . . . 74.42 110.854 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.57 -29.98 70.18 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.797 -0.638 . . . . 74.12 111.372 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.698 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 24.4 m -83.79 -10.32 58.16 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.488 -0.778 . . . . 64.13 111.816 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -98.03 55.58 1.17 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.42 0.628 . . . . 74.33 109.845 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -121.04 162.17 20.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.399 -0.818 . . . . 74.22 112.069 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.6 t -66.19 147.05 53.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.589 -0.732 . . . . 74.45 111.774 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.42 -3.97 46.03 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.026 -0.534 . . . . 65.45 111.852 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB2' ' OD2' ' A' ' 64' ' ' ASP . . . -106.14 -47.95 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.961 0.356 . . . . 62.42 111.961 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 28.0 p -109.73 -5.39 15.62 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.1 0.25 . . . . 72.25 111.649 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 65.27 10.73 6.7 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.194 0.997 . . . . 74.42 113.044 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.3 tttp -66.13 161.07 22.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.628 0.371 . . . . 72.43 111.376 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -100.8 152.89 19.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.999 -0.546 . . . . 71.44 111.015 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 32.1 m-85 -107.97 130.87 55.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.735 -0.666 . . . . 74.55 111.333 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.4 m -120.78 171.35 8.67 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.933 -1.03 . . . . 65.21 110.834 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.52 141.51 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 122.81 0.444 . . . . 74.21 112.177 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.84 -34.03 5.91 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.854 -0.612 . . . . 73.41 113.027 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -96.4 152.24 18.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.622 0.248 . . . . 71.24 111.024 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -92.07 141.65 28.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.832 -0.622 . . . . 74.23 111.36 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -123.42 153.56 40.24 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.535 0.522 . . . . 65.34 111.513 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.94 124.59 47.43 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.404 -0.816 . . . . 72.44 109.639 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.41 111.49 20.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.898 -0.592 . . . . 61.4 110.758 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -88.06 176.37 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.53 -0.759 . . . . 73.45 110.728 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' H ' HG13 ' A' ' 55' ' ' ILE . 18.0 m-80 -47.76 -34.41 8.42 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.802 1.038 . . . . 75.13 113.802 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 t -115.12 -64.04 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.446 0.535 . . . . 70.43 112.446 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.2 m-20 -120.48 -162.48 0.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.081 0.4 . . . . 75.52 112.081 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -97.48 134.3 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 122.883 0.473 . . . . 75.25 110.141 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.7 124.51 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.465 0.478 . . . . 75.51 110.34 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.9 p -65.02 160.55 20.62 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.819 -0.628 . . . . 72.41 112.061 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 65' ' ' ILE . 48.3 mt-10 -65.02 -19.8 66.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 74.23 111.881 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -66.98 -41.78 86.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.804 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' A' ' 41' ' ' ALA . 2.4 m-20 -110.55 5.63 21.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.597 0.592 . . . . 42.3 112.597 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.22 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.097 0.777 . . . . 74.41 113.097 -178.417 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.8 t80 -59.52 -52.49 65.34 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.972 0.509 . . . . 72.11 112.25 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.56 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.08 -38.55 91.11 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.597 0.591 . . . . 63.44 112.597 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -65.23 -52.53 54.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.531 0.332 . . . . 73.13 111.06 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.3 p -62.38 -28.95 70.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.935 0.494 . . . . 73.14 111.014 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 59.9 tttt -65.02 -38.69 91.74 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.976 -1.011 . . . . 74.32 112.683 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.6 mm -84.14 -47.61 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.027 0.751 . . . . 74.41 113.027 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.04 -30.21 15.42 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.18 0.808 . . . . 74.11 113.18 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.37 149.2 7.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 121.026 -0.607 . . . . 72.21 112.645 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.68 52.22 0.02 OUTLIER Glycine 0 C--N 1.336 0.569 0 C-N-CA 121.572 -0.346 . . . . 72.31 112.558 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 p -130.0 147.38 51.74 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 122.318 0.247 . . . . 74.05 111.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.82 -146.03 17.52 Favored Glycine 0 C--N 1.336 0.569 0 O-C-N 123.696 0.622 . . . . 65.43 112.517 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.01 -141.85 3.23 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 121.416 -0.421 . . . . 75.05 112.511 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t 70.69 -52.0 0.67 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.452 1.101 . . . . 62.24 112.293 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.19 -80.96 0.05 OUTLIER Glycine 0 C--N 1.339 0.733 0 C-N-CA 121.433 -0.413 . . . . 53.13 112.491 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.55 150.71 18.88 Favored Glycine 0 C--N 1.337 0.593 0 C-N-CA 121.465 -0.398 . . . . 71.44 112.489 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.3 m -100.38 132.73 45.6 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 122.311 0.244 . . . . 75.44 110.952 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.06 -111.22 0.55 Allowed Glycine 0 C--N 1.339 0.696 0 CA-C-N 115.825 -0.625 . . . . 73.23 112.505 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 121.51 166.85 13.03 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.449 -0.405 . . . . 72.21 112.72 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.19 130.81 44.92 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.385 0.274 . . . . 73.24 110.882 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.79 141.59 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.907 -0.588 . . . . 72.11 110.054 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 mtt -119.58 151.59 38.41 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.904 -0.589 . . . . 73.44 110.937 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.92 154.07 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.897 -0.592 . . . . 74.41 111.071 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.2 123.01 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 115.66 -0.7 . . . . 74.34 110.748 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.47 175.66 15.43 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-N 115.826 -0.624 . . . . 72.13 113.969 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 119.68 62.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 123.074 0.55 . . . . 73.12 112.092 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.73 170.3 19.33 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.525 2.15 . . . . 72.51 113.141 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.722 ' O ' ' HA ' ' A' ' 23' ' ' MET . 7.8 p -101.94 111.07 23.2 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.991 -0.55 . . . . 74.13 110.147 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.06 153.27 42.7 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.563 0.949 . . . . 74.54 113.563 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 42.67 109.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.32 1.448 . . . . 54.4 113.84 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 21' ' ' TYR . . . -170.39 -39.15 0.03 OUTLIER Glycine 0 C--N 1.337 0.614 0 CA-C-N 114.753 -1.112 . . . . 70.51 112.507 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.79 -151.26 5.63 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 121.536 -0.364 . . . . 74.41 112.552 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.93 164.06 26.14 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.722 0.307 . . . . 65.14 110.934 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -89.96 -42.36 11.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.209 -0.45 . . . . 72.34 111.674 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.47 -122.07 1.39 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 121.275 -0.488 . . . . 61.51 112.686 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.79 91.6 2.49 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.316 0.579 . . . . 72.42 110.365 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -87.81 -18.7 28.74 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.198 -0.91 . . . . 72.23 112.036 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.08 -23.47 33.1 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.134 0.42 . . . . 71.35 112.134 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.09 -14.85 40.21 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.287 0.367 . . . . 75.34 111.981 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -92.38 5.22 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.402 -0.363 . . . . 74.03 111.769 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -90.65 -41.94 11.04 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.371 -0.377 . . . . 75.21 111.205 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.57 117.99 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.388 -0.369 . . . . 74.41 111.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.8 p -140.24 147.77 40.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.817 -0.629 . . . . 74.35 111.126 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -108.98 148.24 31.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.904 -0.589 . . . . 73.34 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.11 147.03 43.7 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.86 -0.609 . . . . 71.01 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 62.39 125.63 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.925 0.89 . . . . 74.35 112.079 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -114.76 141.3 48.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.751 -0.659 . . . . 73.5 110.852 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.8 t -101.85 124.26 47.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.96 -0.564 . . . . 73.42 111.019 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -130.01 141.73 50.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.859 -0.609 . . . . 74.12 110.492 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -104.9 129.88 53.17 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.892 -0.594 . . . . 74.15 110.527 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.91 149.22 51.74 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.863 -0.608 . . . . 75.03 111.047 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.27 142.94 31.06 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.86 -0.609 . . . . 71.34 111.139 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.33 -41.9 7.23 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.857 -0.61 . . . . 72.43 111.51 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -99.75 145.94 27.11 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.411 0.445 . . . . 73.4 111.017 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 159.96 80.12 0.03 OUTLIER Glycine 0 C--N 1.337 0.613 0 CA-C-N 115.918 -0.583 . . . . 71.42 112.495 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.448 HD13 ' N ' ' A' ' 121' ' ' ASP . 1.6 pp -111.69 -39.07 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 111.811 0.3 . . . . 74.12 111.811 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.448 ' N ' HD13 ' A' ' 120' ' ' ILE . 4.5 t70 -134.11 150.33 51.14 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.469 -0.332 . . . . 74.34 110.514 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 62.79 124.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.89 0.876 . . . . 75.0 111.993 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.502 -0.761 . . . . 75.3 110.845 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.313 0.101 . . . . 74.15 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.57 129.8 41.25 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.334 0.396 . . . . 73.21 110.979 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.79 131.19 45.69 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.871 -0.604 . . . . 71.44 111.964 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.2 pt? -93.02 135.01 34.58 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.794 -0.639 . . . . 73.23 111.412 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 64.95 146.01 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.108 0.963 . . . . 72.22 112.266 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.9 179.71 18.24 Favored Glycine 0 C--N 1.339 0.696 0 CA-C-N 115.704 -0.68 . . . . 72.24 112.821 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.34 177.37 7.39 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.449 0.299 . . . . 75.2 110.688 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.75 -40.77 61.03 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.593 0.357 . . . . 71.04 111.805 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 17' ' ' ARG . . . 134.25 -41.37 1.47 Allowed Glycine 0 C--N 1.34 0.763 0 C-N-CA 121.083 -0.579 . . . . 63.22 113.604 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mp -131.87 158.73 40.57 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.002 0.371 . . . . 75.44 112.002 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 42.3 t -76.71 149.32 36.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.637 -0.71 . . . . 74.54 111.371 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -65.84 -35.72 81.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.294 -0.866 . . . . 65.22 112.097 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -97.58 -39.96 8.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.73 -0.668 . . . . 73.32 111.654 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 m -98.3 147.87 24.22 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.2 0.312 . . . . 73.22 111.016 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.03 37.17 1.09 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.665 0.745 . . . . 63.35 109.424 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -111.87 139.87 47.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 114.913 -1.04 . . . . 75.41 110.733 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 10.2 mmt180 -65.85 116.02 6.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.776 -0.647 . . . . 73.24 111.244 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 33' ' ' HIS . 52.0 mt -72.67 98.29 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.329 0.585 . . . . 74.1 110.01 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -148.2 -174.95 4.72 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.836 -1.074 . . . . 73.25 111.92 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.34 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.906 1.282 . . . . 73.32 113.671 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.409 ' O ' ' HG3' ' A' ' 23' ' ' MET . 58.6 t80 -79.29 -56.9 4.0 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 122.511 0.324 . . . . 64.44 110.414 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.568 ' OE2' ' HA ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 28.8 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.57 1.322 . . . . 64.3 114.57 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 65.1 mtt 47.09 53.1 11.09 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.113 0.965 . . . . 73.45 111.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 32' ' ' TYR . 18.5 p -116.05 162.87 16.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.045 -0.979 . . . . 74.24 112.298 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -103.43 151.4 22.84 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.306 -0.861 . . . . 73.33 109.621 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -80.14 120.68 24.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.399 -0.364 . . . . 75.34 111.684 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.5 t -87.59 -179.24 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-N 115.709 -0.678 . . . . 71.34 109.581 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' H ' HG12 ' A' ' 27' ' ' VAL . 94.1 mttt -45.96 -64.45 0.74 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.994 1.109 . . . . 71.52 113.994 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.44 -44.96 2.44 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.061 0.393 . . . . 72.31 112.061 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 30.9 mtmt -110.28 151.92 26.79 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.238 0.336 . . . . 74.21 111.717 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -108.74 150.44 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.953 -0.567 . . . . 72.34 110.193 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 51.2 m-85 -132.04 153.64 50.2 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.012 -0.54 . . . . 73.03 111.268 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.862 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 22.6 m80 -65.61 163.37 16.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.985 0.514 . . . . 74.32 110.507 177.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 22' ' ' GLU . 2.6 mt -59.23 -50.2 74.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.61 0.243 . . . . 74.42 110.848 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.68 -22.75 66.08 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.765 -0.652 . . . . 74.12 111.593 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.862 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.1 m -84.78 -1.42 56.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.702 -0.681 . . . . 64.13 111.844 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.16 55.01 1.73 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.505 0.669 . . . . 74.33 109.804 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -120.97 162.04 20.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.234 -0.894 . . . . 74.22 111.58 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 37.3 t -66.21 147.18 53.71 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.811 -0.631 . . . . 74.45 111.744 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.85 -5.88 49.99 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.917 -0.583 . . . . 65.45 112.331 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB2' ' OD2' ' A' ' 64' ' ' ASP . . . -107.09 -50.58 3.07 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.087 0.403 . . . . 62.42 112.087 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.7 p -107.11 -4.81 18.49 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.774 0.287 . . . . 72.25 111.774 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 64.66 11.28 6.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.102 0.961 . . . . 74.42 113.0 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.3 tttt -65.91 161.99 20.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.669 0.388 . . . . 72.43 111.271 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.14 149.51 22.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.054 -0.521 . . . . 71.44 111.12 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -101.25 145.98 28.14 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.699 -0.682 . . . . 74.55 110.778 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.2 m -120.82 158.24 28.02 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.217 -0.901 . . . . 65.21 111.223 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.72 135.8 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 116.091 -0.504 . . . . 74.21 112.066 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -23.24 25.94 Favored Glycine 0 C--N 1.336 0.58 0 O-C-N 123.564 0.54 . . . . 73.41 113.167 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.8 m-20 -97.09 152.78 18.44 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 122.399 0.28 . . . . 71.24 111.108 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -86.96 139.8 30.23 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.233 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -129.93 157.02 43.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.09 -0.504 . . . . 65.34 111.343 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.5 OUTLIER -114.53 129.39 56.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.668 -0.696 . . . . 72.44 109.663 178.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.98 115.0 27.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.947 -0.569 . . . . 61.4 110.667 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -92.9 176.16 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 115.692 -0.686 . . . . 73.45 110.68 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -48.01 -35.0 10.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.815 1.043 . . . . 75.13 113.815 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t -120.13 -56.77 1.98 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.756 0.65 . . . . 70.43 112.756 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.1 m-20 -120.24 -161.53 0.88 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.128 0.418 . . . . 75.52 112.128 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.555 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.2 mt -110.28 141.8 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 122.823 0.449 . . . . 75.25 110.033 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 68' ' ' TRP . 11.8 t -120.77 128.35 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 123.53 0.519 . . . . 75.51 110.403 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.4 158.47 26.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.909 -0.587 . . . . 72.41 112.084 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.646 ' O ' HG21 ' A' ' 65' ' ' ILE . 43.3 mt-10 -61.2 -21.68 64.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.009 0.524 . . . . 74.23 111.885 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -67.06 -40.95 87.18 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.666 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.425 ' OD2' ' HB2' ' A' ' 41' ' ' ALA . 8.9 m-20 -110.38 5.82 21.8 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.667 0.618 . . . . 42.3 112.667 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.646 HG21 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.56 -53.88 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 113.175 0.805 . . . . 74.41 113.175 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.43 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.1 t80 -59.26 -53.41 58.59 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.661 0.615 . . . . 72.11 112.661 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.577 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.16 -40.45 94.35 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.898 0.703 . . . . 63.44 112.898 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.475 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.8 t-105 -65.5 -50.88 63.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.585 0.354 . . . . 73.13 111.886 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.2 p -62.79 -29.48 70.75 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.972 0.415 . . . . 73.14 111.345 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 38.0 tttm -65.44 -42.15 92.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.124 -0.943 . . . . 74.32 111.893 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.2 mm -84.6 -46.98 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.857 -0.61 . . . . 74.41 111.76 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -76.8 -29.86 56.2 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.664 0.616 . . . . 74.11 112.664 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.1 -124.61 5.21 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.557 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 156.61 118.41 0.58 Allowed Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.408 -0.425 . . . . 72.31 112.537 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 m -100.86 143.12 31.39 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 122.311 0.244 . . . . 74.05 110.914 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.39 102.29 1.78 Allowed Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.894 -0.593 . . . . 65.43 112.556 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.45 -146.28 17.19 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.426 -0.416 . . . . 75.05 112.443 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.5 m -113.96 131.54 56.29 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.624 0.25 . . . . 62.24 110.951 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 148.5 99.01 0.21 Allowed Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.877 -0.601 . . . . 53.13 112.498 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.06 120.43 1.0 Allowed Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.524 -0.369 . . . . 71.44 112.509 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.2 m -124.89 139.37 53.9 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.604 0.238 . . . . 75.44 110.877 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 102.36 2.5 Favored Glycine 0 C--N 1.337 0.63 0 CA-C-N 115.814 -0.63 . . . . 73.23 112.488 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.3 53.01 0.8 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 121.402 -0.427 . . . . 72.21 112.542 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -130.29 132.07 45.74 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.332 0.253 . . . . 73.24 110.791 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -106.11 134.18 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 115.948 -0.569 . . . . 72.11 110.0 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -120.21 155.88 32.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.639 -0.71 . . . . 73.44 111.367 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 50' ' ' ASP . 9.6 p -95.69 147.86 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.664 -0.698 . . . . 74.41 110.324 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.59 109.19 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 120.878 0.37 . . . . 74.34 111.345 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.66 168.66 39.17 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.491 -0.777 . . . . 72.13 113.321 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.25 157.5 81.27 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 119.044 -0.503 . . . . 73.12 111.318 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -76.53 136.14 17.09 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.247 1.965 . . . . 72.51 112.67 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -119.72 120.72 37.4 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.949 -0.569 . . . . 74.13 111.165 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.568 ' HA ' ' OE2' ' A' ' 22' ' ' GLU . 2.5 pp -65.54 151.22 46.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.77 -0.65 . . . . 74.54 112.044 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.4 ' HB2' ' OE1' ' A' ' 22' ' ' GLU . 9.4 ttt -65.49 151.26 46.81 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.95 -0.568 . . . . 54.4 111.655 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -145.05 -80.61 0.04 OUTLIER Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.829 -0.623 . . . . 70.51 112.485 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.36 90.16 0.08 OUTLIER Glycine 0 C--N 1.337 0.618 0 C-N-CA 121.408 -0.425 . . . . 74.41 112.61 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -129.15 132.82 47.39 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.645 0.262 . . . . 65.14 110.766 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -128.79 -36.88 1.79 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.89 -0.595 . . . . 72.34 111.479 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.37 -143.49 12.5 Favored Glycine 0 C--N 1.341 0.835 0 O-C-N 123.385 0.428 . . . . 61.51 112.832 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.78 93.19 2.48 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.351 0.596 . . . . 72.42 110.615 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -87.91 -18.73 28.52 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.254 -0.884 . . . . 72.23 112.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.12 -27.13 30.38 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.027 0.38 . . . . 71.35 112.027 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.08 -10.17 53.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.287 0.367 . . . . 75.34 111.881 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.9 -7.78 55.45 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.417 -0.356 . . . . 74.03 111.868 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.81 -39.09 11.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.434 -0.348 . . . . 75.21 111.074 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.9 mp 65.63 127.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.782 0.833 . . . . 74.41 110.969 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.0 p -100.31 150.88 22.12 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.766 -0.652 . . . . 74.35 111.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.17 148.24 24.82 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.896 -0.593 . . . . 73.34 110.946 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.56 149.06 49.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.896 -0.593 . . . . 71.01 110.929 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.57 147.42 50.34 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.924 -0.58 . . . . 74.35 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.37 145.28 37.81 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.662 0.601 . . . . 73.5 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -103.61 -47.53 4.22 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.853 -0.612 . . . . 73.42 111.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 63.32 127.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.951 0.9 . . . . 74.12 112.073 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 63.04 127.06 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.016 0.926 . . . . 74.15 112.101 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -117.74 131.53 56.59 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.834 -0.621 . . . . 75.03 110.83 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.53 124.25 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.856 0.862 . . . . 71.34 112.242 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.7 -43.4 5.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.871 -0.604 . . . . 72.43 111.483 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -129.32 138.75 51.76 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.411 0.444 . . . . 73.4 110.547 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 100.15 90.17 2.04 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.83 -0.623 . . . . 71.42 112.578 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.5 tp -118.41 130.21 73.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 123.642 0.26 . . . . 74.12 110.628 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -133.24 -42.27 0.88 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.787 -0.642 . . . . 74.34 111.193 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.18 150.09 22.42 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.452 0.47 . . . . 75.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.07 -0.967 . . . . 75.3 110.921 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.482 0.182 . . . . 74.15 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 tp -100.5 -46.18 5.3 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.983 -0.553 . . . . 73.21 110.86 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -65.67 -40.85 92.84 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.917 0.487 . . . . 71.44 112.259 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -99.42 146.54 26.21 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.467 0.48 . . . . 73.23 110.991 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -108.75 145.92 34.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.908 -0.587 . . . . 72.22 110.777 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.34 150.74 8.1 Favored Glycine 0 C--N 1.337 0.625 0 O-C-N 123.723 0.639 . . . . 72.24 112.445 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.585 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 1.1 mp0 -104.05 151.78 22.84 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.918 0.39 . . . . 75.2 111.469 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.78 -10.56 20.66 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.281 -0.872 . . . . 71.04 110.932 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -89.89 82.38 1.4 Allowed Glycine 0 C--N 1.34 0.805 0 CA-C-N 116.006 -0.543 . . . . 63.22 113.064 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -69.93 158.81 34.89 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.098 0.559 . . . . 75.44 111.561 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 26.0 t -80.66 109.68 15.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 121.292 0.568 . . . . 74.54 111.102 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.496 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -65.93 -13.25 59.39 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.105 1.15 . . . . 65.22 114.105 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.5 p -92.84 -50.91 5.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.293 0.479 . . . . 73.32 112.293 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.8 p -100.1 6.14 44.94 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 111.831 0.308 . . . . 73.22 111.831 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.5 45.06 5.38 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.556 1.142 . . . . 63.35 112.78 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -120.26 152.1 38.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.491 -0.777 . . . . 75.41 110.446 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -65.56 122.83 18.13 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.899 -0.591 . . . . 73.24 111.754 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 33.9 mt -85.91 98.19 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 109.11 -0.7 . . . . 74.1 109.11 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.6 tmt_? -148.23 157.19 43.35 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.286 -0.87 . . . . 73.25 111.617 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 56.5 -71.18 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.858 1.263 . . . . 73.32 114.382 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' ' HG3' ' A' ' 23' ' ' MET . 5.7 t80 -68.13 -62.76 1.25 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.563 0.345 . . . . 64.44 111.58 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 33.62 -84.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.879 1.272 . . . . 64.3 114.158 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 64.4 mtt 51.31 35.75 14.54 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.944 0.898 . . . . 73.45 112.388 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -123.29 174.05 7.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.599 -0.728 . . . . 74.24 111.292 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.75 162.35 12.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 73.33 111.211 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -88.33 118.68 28.12 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.154 -0.475 . . . . 75.34 111.28 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 2.3 t -89.48 -179.19 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.613 -0.721 . . . . 71.34 109.615 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' H ' HG12 ' A' ' 27' ' ' VAL . 45.1 mmtt -51.21 -69.41 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.392 0.886 . . . . 71.52 113.392 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -120.38 -38.74 2.86 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.234 0.457 . . . . 72.31 112.234 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.513 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 78.2 mttt -104.52 131.84 51.46 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.231 0.332 . . . . 74.21 111.838 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 7.7 t -101.24 141.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 109.26 -0.644 . . . . 72.34 109.26 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 41.3 m-85 -133.79 147.29 51.24 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.38 -0.373 . . . . 73.03 111.547 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.739 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 39.8 m80 -65.85 164.59 14.55 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.891 -0.595 . . . . 74.32 111.235 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 22' ' ' GLU . 1.3 pp -65.37 -47.52 76.12 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.485 0.184 . . . . 74.42 110.959 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.24 -28.1 68.46 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.912 -0.586 . . . . 74.12 111.273 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 21.0 m -85.98 -8.12 58.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.696 -0.683 . . . . 64.13 111.69 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -90.23 63.36 5.73 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.536 0.684 . . . . 74.33 110.261 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 96.2 mttt -120.74 165.79 14.62 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.06 -0.973 . . . . 74.22 111.138 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 45.1 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.391 -0.368 . . . . 74.45 111.705 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.18 -7.23 45.86 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.755 -0.657 . . . . 65.45 110.9 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB1' ' OD1' ' A' ' 64' ' ' ASP . . . -109.89 -38.04 5.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.616 -0.72 . . . . 62.42 111.733 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m -113.05 -17.23 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.968 0.359 . . . . 72.25 111.968 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 70.14 4.4 4.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.032 0.933 . . . . 74.42 112.1 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -66.09 167.06 10.57 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.316 0.646 . . . . 72.43 111.427 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -96.36 153.19 17.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.444 -0.344 . . . . 71.44 111.305 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 7.5 m-85 -102.55 157.12 17.16 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.648 -0.705 . . . . 74.55 111.108 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.53 152.89 37.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.542 -0.754 . . . . 65.21 111.087 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.7 128.28 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.914 -0.585 . . . . 74.21 112.218 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.89 -17.13 35.86 Favored Glycine 0 C--N 1.337 0.626 0 O-C-N 123.648 0.593 . . . . 73.41 113.241 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' O ' HG21 ' A' ' 88' ' ' VAL . 8.1 m-20 -93.43 154.18 18.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.39 0.276 . . . . 71.24 111.137 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -85.26 135.99 33.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.93 -0.577 . . . . 74.23 111.233 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -124.13 163.33 21.74 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.569 0.543 . . . . 65.34 111.58 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' O ' HG22 ' A' ' 59' ' ' ILE . 11.1 tp -112.94 137.21 51.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.519 -0.764 . . . . 72.44 110.072 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -110.28 108.35 18.42 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.621 -0.881 . . . . 61.4 108.621 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.544 HG13 ' H ' ' A' ' 56' ' ' ASN . 1.1 tp -118.39 175.69 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 116.053 -0.521 . . . . 73.45 110.939 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.544 ' H ' HG13 ' A' ' 55' ' ' ILE . 3.1 m-80 -51.6 -38.42 54.5 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.389 0.676 . . . . 75.13 110.753 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.463 ' H ' HG22 ' A' ' 55' ' ' ILE . 52.6 m -111.63 93.71 4.6 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.979 -1.01 . . . . 70.43 110.301 178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 55' ' ' ILE . 0.5 OUTLIER 43.09 -171.27 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.337 1.455 . . . . 75.52 114.863 179.098 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.7 mp -84.7 133.01 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.02 -0.991 . . . . 75.25 111.626 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.461 ' CG1' HD22 ' A' ' 53' ' ' LEU . 1.1 m -114.58 132.48 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 123.804 0.69 . . . . 75.51 109.7 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.9 p -65.56 160.31 22.69 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.24 0.83 . . . . 72.41 113.24 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.623 ' O ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -60.29 -18.05 46.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.173 0.989 . . . . 74.23 112.832 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.63 -47.17 76.52 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.051 0.389 . . . . 75.13 112.051 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.415 ' OD1' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -110.96 15.37 21.78 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.411 0.522 . . . . 42.3 112.411 -179.496 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -54.97 -53.39 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 112.894 0.702 . . . . 74.41 112.894 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.6 t80 -59.9 -52.75 64.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.444 0.465 . . . . 72.11 112.023 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.579 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.1 mt-10 -65.39 -38.15 89.13 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.517 0.562 . . . . 63.44 112.517 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.453 ' HE1' HG21 ' A' ' 55' ' ' ILE . 48.7 t-105 -65.42 -51.85 57.39 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.708 0.403 . . . . 73.13 111.504 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.1 p -64.43 -29.67 70.72 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.022 0.439 . . . . 73.14 111.282 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 29.8 tttp -65.71 -43.14 90.03 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.162 -0.926 . . . . 74.32 111.842 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 67' ' ' GLU . 16.5 mm -85.24 -47.15 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.078 -0.51 . . . . 74.41 111.928 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -79.22 -30.0 43.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.847 0.684 . . . . 74.11 112.847 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.3 -137.29 7.85 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.297 -0.477 . . . . 72.21 112.514 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.75 -103.23 1.0 Allowed Glycine 0 C--N 1.337 0.605 0 C-N-CA 121.49 -0.386 . . . . 72.31 112.518 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 m -106.35 137.8 43.66 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.628 0.252 . . . . 74.05 110.883 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.46 100.66 0.15 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.884 -0.598 . . . . 65.43 112.452 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.19 -129.03 9.76 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 121.393 -0.432 . . . . 75.05 112.43 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.0 m -127.86 130.74 49.07 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.688 0.287 . . . . 62.24 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 142.07 123.79 1.9 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.88 -0.6 . . . . 53.13 112.474 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.11 -84.67 1.78 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 121.485 -0.388 . . . . 71.44 112.537 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.8 m -100.41 135.21 42.2 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.644 0.261 . . . . 75.44 110.939 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.33 -141.82 9.45 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.852 -0.613 . . . . 73.23 112.525 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 138.61 117.92 1.57 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.498 -0.382 . . . . 72.21 112.543 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.76 137.09 39.61 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.599 0.238 . . . . 73.24 110.8 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.36 148.98 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 115.898 -0.592 . . . . 72.11 109.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -111.97 142.07 44.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.841 -0.618 . . . . 73.44 110.836 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.7 t -97.89 142.05 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 123.583 0.552 . . . . 74.41 110.502 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 50' ' ' ASP . 4.9 t -65.36 110.26 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.796 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.27 154.98 51.52 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.74 -0.664 . . . . 72.13 113.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.35 112.12 8.43 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 122.839 0.455 . . . . 73.12 111.803 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.0 160.19 45.58 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.517 2.145 . . . . 72.51 112.823 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -104.04 115.81 31.09 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.561 0.538 . . . . 74.13 111.209 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.95 135.33 54.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.741 -0.663 . . . . 74.54 111.832 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.71 91.48 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.954 -0.566 . . . . 54.4 111.847 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.11 100.63 2.22 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.502 0.501 . . . . 70.51 112.498 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.19 -130.43 2.58 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.409 -0.424 . . . . 74.41 112.546 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.56 123.95 44.3 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.691 0.289 . . . . 65.14 111.139 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -98.48 82.42 2.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.785 -0.643 . . . . 72.34 110.515 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.46 82.06 0.3 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.104 -0.953 . . . . 61.51 112.578 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.55 12.41 33.56 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.76 0.314 . . . . 72.42 111.396 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.11 -30.25 19.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.109 -0.496 . . . . 72.23 111.773 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.66 -27.64 26.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.119 0.414 . . . . 71.35 112.119 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.17 -24.72 24.37 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.175 0.435 . . . . 75.34 112.175 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.17 -37.15 12.89 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.267 0.354 . . . . 74.03 111.742 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.6 tp -92.84 -34.94 13.64 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.39 0.431 . . . . 75.21 111.348 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.8 pp 43.9 105.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 124.782 1.233 . . . . 74.41 113.74 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.4 p -115.98 -44.86 2.89 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.593 -0.731 . . . . 74.35 111.371 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -115.86 144.64 43.74 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.502 0.501 . . . . 73.34 110.6 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 pp -112.36 152.22 28.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.878 -0.601 . . . . 71.01 111.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.5 126.41 44.05 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.864 -0.607 . . . . 74.35 110.641 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -130.19 148.87 52.08 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.85 -0.614 . . . . 73.5 110.65 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 p -99.63 124.86 45.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 73.42 111.088 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -111.36 146.64 36.75 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.928 -0.578 . . . . 74.12 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -99.86 -43.31 6.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.899 -0.591 . . . . 74.15 110.974 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.01 144.92 47.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.274 -0.421 . . . . 75.03 110.549 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.64 125.13 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.894 0.878 . . . . 71.34 112.323 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.48 -42.56 6.89 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.844 -0.616 . . . . 72.43 111.51 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -117.67 -42.55 2.85 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.452 0.47 . . . . 73.4 111.2 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 109.45 106.5 3.02 Favored Glycine 0 C--N 1.34 0.761 0 O-C-N 123.373 0.42 . . . . 71.42 112.476 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -110.21 144.61 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.624 0.249 . . . . 74.12 111.318 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -118.31 141.24 48.73 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.909 -0.587 . . . . 74.34 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -98.91 -44.93 6.16 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.879 -0.6 . . . . 75.0 111.366 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.106 -0.949 . . . . 75.3 110.824 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.309 0.1 . . . . 74.15 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mt 62.45 121.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.969 0.908 . . . . 73.21 112.036 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -65.71 154.01 40.13 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.786 -0.643 . . . . 71.44 111.919 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.1 mt -96.84 136.76 36.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.029 -0.532 . . . . 73.23 111.026 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -99.78 167.12 10.74 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.712 -0.676 . . . . 72.22 110.909 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.66 -153.23 6.83 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 116.228 -0.442 . . . . 72.24 112.884 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.03 153.22 40.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.92 0.391 . . . . 75.2 111.68 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -123.5 -11.88 7.79 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.151 -0.931 . . . . 71.04 110.547 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.522 ' O ' HD11 ' A' ' 18' ' ' ILE . . . -97.08 90.26 1.11 Allowed Glycine 0 C--N 1.339 0.728 0 CA-C-N 115.606 -0.725 . . . . 63.22 112.613 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.494 HD21 ' C ' ' A' ' 16' ' ' LYS . 5.0 mp -55.54 158.97 3.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.016 0.927 . . . . 75.44 112.14 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 43.0 t -66.36 120.9 14.11 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 121.306 0.575 . . . . 74.54 111.128 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -65.84 -15.05 62.55 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.804 -1.089 . . . . 65.22 113.191 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -98.23 -40.46 8.35 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.127 0.417 . . . . 73.32 112.127 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 m -97.92 -26.74 14.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.683 0.623 . . . . 73.22 112.683 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 66.05 31.02 9.26 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 63.35 110.621 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' C ' HD21 ' A' ' 10' ' ' LEU . 90.4 mttt -103.31 156.42 17.75 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.216 -0.902 . . . . 75.41 110.359 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.2 108.95 2.04 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.06 -0.518 . . . . 73.24 110.943 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.531 HG21 ' OE2' ' A' ' 22' ' ' GLU . 10.3 mt -73.89 97.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.495 -0.557 . . . . 74.1 109.495 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -148.92 166.87 27.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.431 -0.804 . . . . 73.25 112.04 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 35.92 -76.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.523 1.675 . . . . 73.32 115.523 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -69.04 7.43 0.71 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.097 0.559 . . . . 64.44 112.219 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.605 ' OE1' ' HA ' ' A' ' 33' ' ' HIS . 1.8 mm-40 -88.76 83.66 6.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 123.883 1.801 . . . . 64.3 111.721 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.876 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 19.1 mmt -100.44 82.39 2.47 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 110.237 -3.165 . . . . 73.45 104.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.4 t -157.66 -172.82 4.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.41 -0.813 . . . . 74.24 112.261 -172.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.526 ' HB2' ' N ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -113.78 165.43 12.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.386 -0.825 . . . . 73.33 111.85 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.703 ' H ' ' H ' ' A' ' 90' ' ' GLU . 46.5 mtt180 -105.95 130.73 53.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.942 -0.572 . . . . 75.34 110.758 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.492 HG11 ' H ' ' A' ' 28' ' ' LYS . 1.6 t -92.28 -178.93 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.658 -0.701 . . . . 71.34 109.795 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' H ' HG11 ' A' ' 27' ' ' VAL . 30.0 mtpt -47.09 -62.05 1.6 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.745 1.017 . . . . 71.52 113.745 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -38.75 2.85 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.119 0.414 . . . . 72.31 112.119 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -99.52 155.06 17.77 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.457 0.473 . . . . 74.21 111.641 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 6.7 t -120.07 141.15 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 109.087 -0.708 . . . . 72.34 109.087 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 77.7 m-85 -131.72 151.24 51.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.26 0.35 . . . . 73.03 111.669 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.842 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 45.1 m80 -65.45 171.22 4.15 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.208 0.603 . . . . 74.32 111.377 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.598 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.7 pp -65.24 -46.1 81.92 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 120.749 0.309 . . . . 74.42 111.009 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -66.3 -21.25 66.26 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.692 -0.685 . . . . 74.12 111.052 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.842 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 3.7 m -94.82 5.82 50.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.26 -0.882 . . . . 64.13 111.594 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HZ ' ' CE1' ' A' ' 52' ' ' TYR . 13.7 t80 -122.41 64.0 0.95 Allowed 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.372 0.606 . . . . 74.33 110.224 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -120.57 159.5 25.11 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.577 -0.738 . . . . 74.22 111.534 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 21.0 t -66.06 146.69 54.38 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.859 -0.609 . . . . 74.45 111.719 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.99 -3.74 58.88 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.662 0.616 . . . . 65.45 112.662 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HB1' ' CG ' ' A' ' 64' ' ' ASP . . . -117.16 -47.56 2.67 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.161 0.43 . . . . 62.42 112.161 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.6 p -109.11 -6.76 15.49 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.033 0.382 . . . . 72.25 112.033 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 15.4 mm-40 63.16 16.35 9.3 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.994 0.918 . . . . 74.42 113.196 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.609 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.0 tttp -65.73 161.76 20.04 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.642 0.377 . . . . 72.43 111.777 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -96.87 154.34 17.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.798 -0.637 . . . . 71.44 110.78 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.45 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 20.2 m-85 -110.93 146.64 36.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 74.55 111.295 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.465 ' O ' HG21 ' A' ' 88' ' ' VAL . 51.7 m -121.59 161.53 22.23 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.779 -1.1 . . . . 65.21 111.407 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 m -65.53 129.11 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 112.602 0.594 . . . . 74.21 112.602 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.73 6.36 37.93 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.71 -0.677 . . . . 73.41 113.552 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.542 ' O ' HG22 ' A' ' 88' ' ' VAL . 3.4 t70 -115.25 154.72 28.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.77 0.285 . . . . 71.24 110.874 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -97.43 130.2 44.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.86 -0.609 . . . . 74.23 110.518 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CE1' ' HZ ' ' A' ' 37' ' ' PHE . 44.6 p90 -126.04 157.46 37.88 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.378 0.424 . . . . 65.34 111.682 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.75 130.66 56.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.371 -0.832 . . . . 72.44 109.801 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.56 105.74 17.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.983 -0.553 . . . . 61.4 110.141 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -86.64 176.1 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.63 -0.713 . . . . 73.45 110.954 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.3 m-80 -47.93 -35.81 11.28 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.673 0.99 . . . . 75.13 113.673 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.0 t -105.52 -75.28 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.969 0.359 . . . . 70.43 111.969 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.48 -166.41 1.32 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.252 0.221 . . . . 75.52 111.592 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -89.94 142.79 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.846 0.459 . . . . 75.25 110.419 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.3 118.57 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 O-C-N 123.6 0.562 . . . . 75.51 109.994 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.3 p -60.75 159.58 10.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.268 -0.424 . . . . 72.41 112.026 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 65' ' ' ILE . 42.4 mt-10 -64.38 -18.4 64.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.824 -0.625 . . . . 74.23 112.678 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -51.94 53.11 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.194 0.442 . . . . 75.13 112.194 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.403 ' CG ' ' HB1' ' A' ' 41' ' ' ALA . 2.1 p30 -110.77 15.13 22.08 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.756 0.65 . . . . 42.3 112.756 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.08 -49.06 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.77 0.656 . . . . 74.41 112.77 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.549 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 63.7 t80 -57.88 -53.42 58.43 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.965 0.728 . . . . 72.11 112.965 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.29 -39.03 92.01 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.261 0.467 . . . . 63.44 112.261 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.452 ' HE1' HG12 ' A' ' 55' ' ' ILE . 51.2 t-105 -65.47 -45.85 82.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.834 0.453 . . . . 73.13 111.283 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.6 p -62.98 -29.72 71.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.988 -0.551 . . . . 73.14 111.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 66' ' ' TYR . 41.7 mtmt -65.73 -40.87 92.61 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.917 -0.583 . . . . 74.32 112.177 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.2 mm -84.31 -47.03 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.568 -0.742 . . . . 74.41 111.904 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -79.81 -29.97 40.37 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.811 0.671 . . . . 74.11 112.811 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.94 16.37 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.315 -0.469 . . . . 72.21 112.64 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 158.98 67.15 0.01 OUTLIER Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.492 -0.385 . . . . 72.31 112.469 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.0 m -127.76 -42.74 1.58 Allowed 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.656 0.268 . . . . 74.05 111.318 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.97 -81.3 0.28 Allowed Glycine 0 C--N 1.34 0.755 0 O-C-N 123.434 0.459 . . . . 65.43 112.546 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.09 64.13 0.01 OUTLIER Glycine 0 C--N 1.337 0.632 0 C-N-CA 121.462 -0.399 . . . . 75.05 112.465 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -127.77 137.84 52.55 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.304 0.241 . . . . 62.24 110.717 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.46 -86.01 0.29 Allowed Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.847 -0.615 . . . . 53.13 112.453 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -147.92 -76.89 0.02 OUTLIER Glycine 0 C--N 1.337 0.613 0 C-N-CA 121.423 -0.417 . . . . 71.44 112.465 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -101.01 132.02 46.62 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.64 0.259 . . . . 75.44 110.839 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -118.72 -72.44 0.4 Allowed Glycine 0 C--N 1.336 0.58 0 CA-C-N 115.902 -0.59 . . . . 73.23 112.527 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.94 75.03 0.24 Allowed Glycine 0 C--N 1.337 0.61 0 C-N-CA 121.5 -0.381 . . . . 72.21 112.517 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -111.51 137.26 49.56 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.355 0.262 . . . . 73.24 110.862 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.549 ' O ' ' HE3' ' A' ' 86' ' ' MET . 4.6 t -125.58 137.05 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 115.835 -0.621 . . . . 72.11 109.904 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.549 ' HE3' ' O ' ' A' ' 85' ' ' VAL . 38.4 mmt -110.07 139.88 44.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.703 -0.681 . . . . 73.44 110.743 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.81 150.11 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 115.794 -0.639 . . . . 74.41 111.021 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 50' ' ' ASP . 58.4 t -58.41 109.96 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.795 -0.639 . . . . 74.34 111.008 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.526 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.28 -120.51 0.01 OUTLIER Glycine 0 C--N 1.345 1.052 0 CA-C-N 114.989 -1.005 . . . . 72.13 115.266 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.703 ' H ' ' H ' ' A' ' 26' ' ' ARG . 6.8 mm-40 -52.84 168.9 0.31 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 124.236 1.014 . . . . 73.12 113.034 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -96.91 170.48 0.89 Allowed 'Trans proline' 0 C--N 1.375 1.958 0 N-CA-C 117.686 2.148 . . . . 72.51 117.686 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 23' ' ' MET . 29.7 p -100.2 167.04 10.69 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 110.507 -3.042 . . . . 74.13 105.984 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.876 ' H ' ' HB3' ' A' ' 23' ' ' MET . 1.5 pp -38.77 97.87 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.405 1.097 . . . . 74.54 113.54 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 37.2 mtt -65.92 -43.87 86.82 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 113.529 -1.669 . . . . 54.4 112.18 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.6 -102.14 0.2 Allowed Glycine 0 C--N 1.34 0.803 0 O-C-N 123.535 0.522 . . . . 70.51 112.479 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.0 -68.97 0.02 OUTLIER Glycine 0 C--N 1.337 0.632 0 C-N-CA 121.382 -0.437 . . . . 74.41 112.677 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.88 144.2 28.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.282 0.233 . . . . 65.14 111.067 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -130.39 -44.56 1.12 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.878 -0.601 . . . . 72.34 111.237 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.39 141.61 12.44 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.361 0.413 . . . . 61.51 112.499 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -136.89 87.79 2.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.266 0.555 . . . . 72.42 110.883 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.28 -19.28 26.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.334 -0.848 . . . . 72.23 111.955 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.66 -17.22 39.26 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.429 0.529 . . . . 71.35 112.429 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -86.18 -18.42 32.24 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.211 0.449 . . . . 75.34 112.211 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -88.17 -29.44 20.52 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 111.949 0.351 . . . . 74.03 111.949 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.3 tt -93.84 -39.85 10.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.334 -0.394 . . . . 75.21 111.036 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.1 pp 44.52 112.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 124.986 1.314 . . . . 74.41 114.119 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.1 p -125.14 143.5 50.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.579 -0.737 . . . . 74.35 111.024 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -109.66 149.6 29.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.984 -0.553 . . . . 73.34 110.999 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.85 140.09 50.2 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.844 -0.616 . . . . 71.01 110.98 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.83 147.31 37.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.902 -0.59 . . . . 74.35 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -108.62 150.19 27.86 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.846 -0.616 . . . . 73.5 110.885 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.3 p -98.4 -52.74 3.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.065 -0.516 . . . . 73.42 111.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 61.47 125.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.926 0.891 . . . . 74.12 112.115 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -108.53 118.57 37.13 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.858 -0.61 . . . . 74.15 110.539 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.73 149.42 46.46 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.803 -0.635 . . . . 75.03 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -118.72 121.77 40.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.969 -0.56 . . . . 71.34 111.036 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.78 -43.23 5.62 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.855 -0.612 . . . . 72.43 111.591 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.82 150.24 22.55 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.37 0.419 . . . . 73.4 110.901 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -145.02 146.05 15.99 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.813 -0.631 . . . . 71.42 112.405 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -108.0 146.72 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 O-C-N 123.621 0.248 . . . . 74.12 111.327 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -129.02 130.92 47.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.877 -0.601 . . . . 74.34 110.847 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -102.59 142.02 34.45 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.953 -0.567 . . . . 75.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 N--CA 1.483 1.215 0 C-N-CA 123.925 0.89 . . . . 75.3 112.062 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.379 0.133 . . . . 74.15 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.9 mt -99.96 127.54 46.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.27 -0.423 . . . . 73.21 110.943 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.71 143.7 57.37 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.908 -0.587 . . . . 71.44 111.947 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt -129.8 -38.93 1.45 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.676 0.61 . . . . 73.23 111.241 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -91.79 144.62 25.31 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.413 0.446 . . . . 72.22 111.67 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.7 -109.37 0.79 Allowed Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.343 -0.844 . . . . 72.24 111.873 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.25 152.9 52.06 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.82 0.343 . . . . 75.2 110.823 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -108.78 -10.01 15.17 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.436 -0.802 . . . . 71.04 111.222 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.572 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -108.41 98.17 1.18 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 116.036 -0.529 . . . . 63.22 113.026 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mp -85.5 158.98 20.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.854 0.461 . . . . 75.44 110.513 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.578 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 49.9 t -62.63 129.52 40.93 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.535 0.569 . . . . 74.54 112.535 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.02 -29.23 69.55 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.862 -1.063 . . . . 65.22 112.833 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -92.84 -53.71 4.05 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.266 0.354 . . . . 73.32 111.546 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 3.2 p -106.85 160.95 15.12 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.177 0.298 . . . . 73.22 110.747 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.62 55.41 3.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.315 0.579 . . . . 63.35 110.718 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 89.0 mttt -120.81 129.57 53.62 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.512 -0.767 . . . . 75.41 110.929 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.57 132.66 49.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.945 -0.57 . . . . 73.24 111.49 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 22.1 mt -74.2 129.91 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 116.086 -0.506 . . . . 74.1 110.026 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.461 ' H ' ' CG ' ' A' ' 22' ' ' GLU . 26.3 mmt180 -130.61 -174.41 3.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.174 -0.467 . . . . 73.25 111.894 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 23' ' ' MET . . . -56.37 -45.41 80.53 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.372 0.878 . . . . 73.32 113.372 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -71.81 -32.51 67.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.753 0.311 . . . . 64.44 110.604 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.653 ' O ' HD21 ' A' ' 34' ' ' LEU . 5.5 mm-40 -60.11 -34.14 73.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.469 -0.787 . . . . 64.3 112.553 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 73.6 mtm 33.88 104.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.481 1.112 . . . . 73.45 113.218 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 p -123.34 139.82 53.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 74.24 112.0 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.609 ' SD ' HG21 ' A' ' 27' ' ' VAL . 2.0 ppp? -95.58 167.67 11.16 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.187 -0.915 . . . . 73.33 110.81 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.11 110.93 18.87 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.925 0.393 . . . . 75.34 111.127 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.609 HG21 ' SD ' ' A' ' 25' ' ' MET . 1.6 t -96.96 -178.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.572 -0.74 . . . . 71.34 109.562 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' H ' HG13 ' A' ' 27' ' ' VAL . 97.8 mttt -52.8 -69.66 0.11 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.728 0.64 . . . . 71.52 112.728 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.83 -42.44 2.51 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.051 0.389 . . . . 72.31 112.051 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.6 mttt -112.26 143.18 43.76 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.348 0.405 . . . . 74.21 111.952 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.3 t -101.01 145.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 115.678 -0.692 . . . . 72.34 109.2 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 33.3 m-85 -133.55 152.22 51.86 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.285 0.476 . . . . 73.03 112.285 -178.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m170 -65.66 159.29 25.21 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.387 -0.824 . . . . 74.32 112.212 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.653 HD21 ' O ' ' A' ' 22' ' ' GLU . 3.1 pp -66.1 -47.87 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 110.314 -0.254 . . . . 74.42 110.314 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.49 -32.98 74.88 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.522 . . . . 74.12 111.46 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.9 m -84.08 -4.0 58.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.921 -0.581 . . . . 64.13 111.647 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 22.3 t80 -94.62 60.18 2.54 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.491 0.663 . . . . 74.33 109.794 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.9 mttt -120.14 164.13 16.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.149 -0.932 . . . . 74.22 111.326 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 31.0 t -65.99 147.08 53.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.821 0.448 . . . . 74.45 111.873 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.88 -5.02 57.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.996 -0.547 . . . . 65.45 111.268 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.78 -40.93 3.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.836 -0.62 . . . . 62.42 111.672 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 m -105.77 -19.03 13.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.388 0.43 . . . . 72.25 111.906 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 69.41 2.51 3.75 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.073 0.949 . . . . 74.42 112.031 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -66.32 163.82 17.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.133 0.573 . . . . 72.43 111.231 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -94.81 152.41 18.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.291 -0.413 . . . . 71.44 111.374 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 8.6 m-85 -101.55 145.4 29.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.514 -0.766 . . . . 74.55 111.139 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.7 t -120.77 159.43 25.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.259 -0.882 . . . . 65.21 110.989 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 88' ' ' VAL . 4.0 m -65.77 143.18 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.086 -0.506 . . . . 74.21 112.253 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -33.65 6.15 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 123.616 0.572 . . . . 73.41 113.197 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.02 148.64 22.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.316 0.246 . . . . 71.24 111.377 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.23 143.43 31.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.751 -0.659 . . . . 74.23 111.011 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -130.81 155.21 47.08 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.304 0.377 . . . . 65.34 111.713 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.4 tp -111.5 132.52 54.44 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.7 -0.682 . . . . 72.44 109.651 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -95.93 111.24 23.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.912 -0.585 . . . . 61.4 110.297 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.23 175.98 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.763 -0.653 . . . . 73.45 110.786 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -48.06 -35.09 10.57 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.797 1.036 . . . . 75.13 113.797 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.2 m -120.15 -56.13 2.02 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.867 0.692 . . . . 70.43 112.867 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 55' ' ' ILE . 7.6 m-20 -120.23 -162.33 0.93 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.007 0.373 . . . . 75.52 112.007 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -109.93 143.36 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.932 0.493 . . . . 75.25 109.827 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 68' ' ' TRP . 6.0 t -120.35 126.33 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 123.488 0.493 . . . . 75.51 110.024 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.3 158.59 25.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.107 -0.497 . . . . 72.41 112.175 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.59 -18.21 28.2 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.299 0.851 . . . . 74.23 113.299 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -65.74 -52.25 52.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.286 0.476 . . . . 75.13 112.286 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.66 15.34 22.05 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.049 0.388 . . . . 42.3 112.049 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.46 -47.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.123 0.569 . . . . 74.41 112.392 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.42 -51.67 58.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.921 0.488 . . . . 72.11 111.879 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.625 ' O ' HD12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -64.39 -45.05 89.32 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.615 0.598 . . . . 63.44 112.615 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.418 ' CD1' HG21 ' A' ' 60' ' ' VAL . 52.9 t-105 -60.94 -45.81 93.2 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.557 0.343 . . . . 73.13 111.807 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 p -67.03 -28.79 68.52 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.178 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.46 -43.5 94.05 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.058 -0.974 . . . . 74.32 111.985 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 67' ' ' GLU . 2.8 mp -84.86 -47.4 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.382 0.426 . . . . 74.41 111.834 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -74.68 -29.85 61.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.896 0.702 . . . . 74.11 112.896 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.8 -117.97 6.04 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 121.282 -0.485 . . . . 72.21 112.543 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.2 96.97 1.39 Allowed Glycine 0 C--N 1.336 0.539 0 C-N-CA 121.404 -0.427 . . . . 72.31 112.481 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' A' ' 76' ' ' GLY . 97.3 p 62.14 -63.03 0.1 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.972 1.309 . . . . 74.05 112.902 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.449 ' N ' ' HG ' ' A' ' 75' ' ' SER . . . -114.51 -138.14 6.67 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 121.525 -0.369 . . . . 65.43 112.483 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.36 -77.41 0.02 OUTLIER Glycine 0 C--N 1.336 0.574 0 C-N-CA 121.432 -0.413 . . . . 75.05 112.427 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -108.57 130.84 55.29 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 122.313 0.245 . . . . 62.24 110.738 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.53 64.49 0.47 Allowed Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.955 -0.566 . . . . 53.13 112.487 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.98 97.19 1.65 Allowed Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.45 -0.405 . . . . 71.44 112.419 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -107.22 -41.73 5.05 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.708 0.299 . . . . 75.44 111.396 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -99.13 -156.46 28.99 Favored Glycine 0 C--N 1.34 0.796 0 O-C-N 123.451 0.47 . . . . 73.23 112.606 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.65 112.96 1.89 Allowed Glycine 0 C--N 1.338 0.661 0 C-N-CA 121.423 -0.418 . . . . 72.21 112.397 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.0 142.55 31.33 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.675 0.28 . . . . 73.24 110.945 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.54 143.62 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 115.893 -0.594 . . . . 72.11 109.886 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.1 mtt -120.11 152.79 37.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.944 -0.571 . . . . 73.44 111.621 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.74 152.81 3.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.603 -0.726 . . . . 74.41 110.411 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -65.33 112.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.907 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.421 ' H ' ' HE1' ' A' ' 25' ' ' MET . . . -65.86 144.18 46.3 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 115.596 -0.729 . . . . 72.13 113.789 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.05 114.57 17.14 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.947 0.499 . . . . 73.12 111.453 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.62 151.76 83.54 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.564 2.176 . . . . 72.51 112.95 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.5 p -120.04 118.27 30.18 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.98 -0.555 . . . . 74.13 111.245 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.457 HD21 ' N ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -65.89 146.77 54.34 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.853 -0.612 . . . . 74.54 111.598 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.457 ' N ' HD21 ' A' ' 93' ' ' LEU . 88.6 mtp -65.53 -44.45 86.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.116 -0.493 . . . . 54.4 112.259 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.4 ' H ' HD21 ' A' ' 93' ' ' LEU . . . 110.75 77.09 0.88 Allowed Glycine 0 C--N 1.34 0.751 0 O-C-N 123.453 0.471 . . . . 70.51 112.542 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.97 112.84 0.94 Allowed Glycine 0 C--N 1.338 0.668 0 C-N-CA 121.413 -0.423 . . . . 74.41 112.492 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.85 23.85 6.14 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.932 0.396 . . . . 65.14 111.35 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -101.05 98.4 8.85 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.884 -0.598 . . . . 72.34 110.834 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.93 76.55 0.11 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.43 -0.805 . . . . 61.51 112.525 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.26 10.53 15.98 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.71 0.29 . . . . 72.42 111.469 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 -41.32 13.19 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.072 -0.513 . . . . 72.23 111.784 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.57 -20.76 30.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.146 -0.479 . . . . 71.35 112.177 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -87.08 -25.12 24.33 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.97 0.359 . . . . 75.34 111.97 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.08 -14.58 27.11 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.182 0.438 . . . . 74.03 112.182 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.57 -66.46 0.91 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.084 0.24 . . . . 75.21 111.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.432 HD11 ' O ' ' A' ' 106' ' ' ILE . 1.9 pp -150.38 136.11 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.445 0.298 . . . . 74.41 111.509 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -129.42 117.88 21.26 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.877 -0.601 . . . . 74.35 110.906 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -132.93 147.92 52.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.867 -0.606 . . . . 73.34 110.685 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 pp -130.54 140.61 50.48 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.816 -0.629 . . . . 71.01 110.987 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -128.48 146.62 50.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.051 -0.522 . . . . 74.35 110.962 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 62.87 125.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.935 0.894 . . . . 73.5 112.134 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -106.12 140.69 38.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.828 -0.623 . . . . 73.42 111.02 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -128.11 146.2 50.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.965 -0.561 . . . . 74.12 110.937 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -100.57 153.32 19.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.808 -0.633 . . . . 74.15 110.996 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -95.22 145.34 25.12 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.949 -0.568 . . . . 75.03 111.007 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.08 151.78 20.58 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.797 -0.638 . . . . 71.34 111.258 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -95.2 -39.88 9.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.875 -0.602 . . . . 72.43 111.646 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -98.56 130.62 45.12 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.404 0.44 . . . . 73.4 110.845 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 131.19 56.68 0.09 OUTLIER Glycine 0 C--N 1.337 0.595 0 CA-C-N 115.792 -0.64 . . . . 71.42 112.404 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.44 HG13 ' H ' ' A' ' 122' ' ' ASP . 2.9 tp -99.62 150.51 5.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 122.312 0.245 . . . . 74.12 110.65 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.83 -9.19 15.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.057 -0.52 . . . . 74.34 112.017 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.44 ' H ' HG13 ' A' ' 120' ' ' ILE . 8.3 m-20 -88.63 -42.56 11.95 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.127 0.267 . . . . 75.0 111.7 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.146 -0.93 . . . . 75.3 110.916 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.355 0.121 . . . . 74.15 111.248 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 3.9 mm? -100.2 137.74 38.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.272 -0.422 . . . . 73.21 110.789 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -65.7 -40.8 92.65 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.948 -0.569 . . . . 71.44 112.122 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.7 tp -129.21 148.07 51.11 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.386 0.429 . . . . 73.23 110.786 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 2' ' ' LEU . 89.2 m-85 -128.69 2.69 5.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.774 -0.648 . . . . 72.22 111.55 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.51 -134.96 8.03 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 116.032 -0.531 . . . . 72.24 112.272 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.33 149.17 25.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.766 0.317 . . . . 75.2 111.314 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.29 -11.16 21.51 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.381 -0.827 . . . . 71.04 111.419 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.554 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -85.02 78.98 1.95 Allowed Glycine 0 C--N 1.342 0.896 0 CA-C-N 116.346 -0.388 . . . . 63.22 113.311 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.46 158.98 30.53 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.043 0.537 . . . . 75.44 111.265 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.584 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 38.6 t -68.88 134.36 49.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.135 0.493 . . . . 74.54 112.307 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.529 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.02 -34.72 78.74 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.93 -1.032 . . . . 65.22 112.694 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 t -89.56 -53.72 4.4 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.351 0.407 . . . . 73.32 111.511 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.584 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.6 p -102.41 154.53 18.99 Favored 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.177 0.298 . . . . 73.22 110.66 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.38 52.21 2.3 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.356 0.598 . . . . 63.35 110.796 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -120.79 133.16 55.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.508 -0.769 . . . . 75.41 110.226 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -65.26 128.4 35.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.4 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 11.3 mt -71.96 98.66 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.222 0.534 . . . . 74.1 109.861 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' TYR . 77.7 mtp180 -148.39 152.79 37.62 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.226 -0.897 . . . . 73.25 111.391 -178.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 46.64 -73.23 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.796 1.238 . . . . 73.32 113.964 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' HD1' ' O ' ' A' ' 21' ' ' TYR . 1.2 t80 -84.66 27.73 0.71 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.553 0.692 . . . . 64.44 111.183 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -63.99 0.98 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.6 -0.727 . . . . 64.3 111.404 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.519 ' O ' HD13 ' A' ' 34' ' ' LEU . 62.9 mtt 36.85 46.89 0.52 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.467 1.107 . . . . 73.45 112.927 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.51 ' HG1' ' H ' ' A' ' 25' ' ' MET . 4.8 t -119.34 165.93 13.68 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.544 -0.753 . . . . 74.24 111.689 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.51 ' H ' ' HG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -110.44 165.41 11.81 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.353 -0.839 . . . . 73.33 110.731 178.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -85.03 118.0 24.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.821 0.343 . . . . 75.34 111.577 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.519 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.4 t -94.85 -178.86 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.413 -0.812 . . . . 71.34 109.461 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.592 ' HE2' ' SD ' ' A' ' 86' ' ' MET . 62.1 mttm -44.85 -64.57 0.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.972 1.101 . . . . 71.52 113.972 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.44 -43.2 2.51 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.492 0.553 . . . . 72.31 112.492 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 68.1 mttt -117.47 156.23 28.35 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.248 0.342 . . . . 74.21 111.842 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 25' ' ' MET . 4.3 t -105.82 147.55 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.8 -0.636 . . . . 72.34 109.817 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 46.1 m-85 -130.5 141.06 50.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.155 -0.475 . . . . 73.03 111.456 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.703 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.2 m80 -65.74 164.96 13.54 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.807 0.443 . . . . 74.32 110.837 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 23' ' ' MET . 4.7 mp -65.14 -49.73 68.74 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.705 0.288 . . . . 74.42 110.522 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.4 -26.0 67.04 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.675 -0.693 . . . . 74.12 111.513 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.703 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -90.12 -7.69 53.11 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.756 -0.656 . . . . 64.13 111.841 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -91.11 55.71 2.95 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.38 0.61 . . . . 74.33 110.674 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.11 160.41 23.76 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.308 -0.86 . . . . 74.22 111.669 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.4 t -66.26 146.96 54.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.905 -0.588 . . . . 74.45 111.555 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -5.78 38.47 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.041 -0.527 . . . . 65.45 111.974 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -103.29 -50.02 3.58 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.853 0.316 . . . . 62.42 111.853 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.6 p -108.48 -4.65 17.09 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.196 0.31 . . . . 72.25 111.663 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.4 mm-40 65.09 11.1 6.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.195 0.998 . . . . 74.42 113.069 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 33.9 tttp -66.07 161.72 21.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.607 0.363 . . . . 72.43 111.305 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -101.65 150.97 22.56 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.939 -0.573 . . . . 71.44 110.888 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.458 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 23.8 m-85 -104.34 138.43 40.78 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.665 -0.698 . . . . 74.55 110.9 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -120.54 164.42 16.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.455 -0.793 . . . . 65.21 110.861 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.51 137.33 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.831 0.452 . . . . 74.21 112.125 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -29.42 10.26 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 115.847 -0.615 . . . . 73.41 113.066 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -93.05 152.13 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.412 0.285 . . . . 71.24 111.143 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 12.2 ptp180 -88.22 135.84 33.26 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.921 -0.581 . . . . 74.23 111.613 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -123.41 153.47 40.37 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.941 -0.572 . . . . 65.34 111.237 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 tt -116.05 126.89 54.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.579 -0.737 . . . . 72.44 109.747 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -88.82 113.31 24.24 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.893 -0.594 . . . . 61.4 110.884 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.607 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.38 176.23 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 115.712 -0.676 . . . . 73.45 110.666 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -47.87 -34.65 9.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.9 1.074 . . . . 75.13 113.9 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.6 m -120.1 -57.49 1.94 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.965 0.728 . . . . 70.43 112.965 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.4 m-20 -120.26 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.08 0.4 . . . . 75.52 112.08 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -106.23 137.1 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 122.856 0.463 . . . . 75.25 109.859 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' A' ' 68' ' ' TRP . 15.8 t -120.83 126.73 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.099 -0.5 . . . . 75.51 110.417 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.19 160.14 22.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.851 -0.613 . . . . 72.41 111.858 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.6 tt0 -63.84 -19.86 65.36 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.66 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -67.1 -42.27 84.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.268 -0.424 . . . . 75.13 111.762 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD2' ' HB3' ' A' ' 41' ' ' ALA . 1.7 m-20 -110.64 7.09 22.21 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.628 0.603 . . . . 42.3 112.628 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.43 -54.53 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.219 0.822 . . . . 74.41 113.219 -178.497 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.3 t80 -58.05 -53.68 55.54 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.728 0.64 . . . . 72.11 112.728 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.14 -39.87 93.61 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.698 0.629 . . . . 63.44 112.698 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.407 ' CD1' HG21 ' A' ' 60' ' ' VAL . 56.3 t-105 -65.38 -49.41 69.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.565 0.346 . . . . 73.13 111.444 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -64.13 -29.12 70.27 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.093 0.473 . . . . 73.14 111.08 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 45.2 tttt -65.11 -42.62 93.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.039 -0.982 . . . . 74.32 111.901 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.9 mm -84.64 -46.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 115.768 -0.651 . . . . 74.41 111.865 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.39 -29.99 53.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.76 0.652 . . . . 74.11 112.76 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.44 150.57 18.89 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.365 -0.445 . . . . 72.21 112.624 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.06 140.45 10.68 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 121.485 -0.388 . . . . 72.31 112.35 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 t -99.74 140.76 33.47 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.692 0.29 . . . . 74.05 110.806 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.76 55.73 0.1 OUTLIER Glycine 0 C--N 1.337 0.613 0 O-C-N 123.667 0.604 . . . . 65.43 112.46 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.98 135.46 2.96 Favored Glycine 0 C--N 1.338 0.661 0 C-N-CA 121.406 -0.426 . . . . 75.05 112.485 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.2 m -101.05 135.59 42.26 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.617 0.245 . . . . 62.24 110.895 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.83 -95.71 0.11 Allowed Glycine 0 C--N 1.338 0.667 0 CA-C-N 115.823 -0.626 . . . . 53.13 112.482 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.24 -95.07 2.15 Favored Glycine 0 C--N 1.337 0.593 0 C-N-CA 121.432 -0.413 . . . . 71.44 112.442 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.9 p 52.87 110.24 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.425 1.09 . . . . 75.44 112.765 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.25 148.72 16.51 Favored Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.679 -0.691 . . . . 73.23 112.491 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.75 98.86 0.82 Allowed Glycine 0 C--N 1.337 0.638 0 C-N-CA 121.41 -0.424 . . . . 72.21 112.517 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.57 145.77 49.98 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.32 0.248 . . . . 73.24 110.87 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -124.72 139.34 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 115.914 -0.585 . . . . 72.11 109.953 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.592 ' SD ' ' HE2' ' A' ' 28' ' ' LYS . 86.8 mtp -120.08 153.31 36.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.865 -0.607 . . . . 73.44 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -91.46 153.03 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.829 -0.623 . . . . 74.41 110.371 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.1 110.34 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.786 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.09 150.62 51.9 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 115.646 -0.706 . . . . 72.13 113.767 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.84 120.03 65.7 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.001 0.52 . . . . 73.12 111.664 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' MET . 14.7 Cg_exo -69.8 150.56 68.16 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 72.51 112.916 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.25 111.73 18.16 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.595 0.559 . . . . 74.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 93' ' ' LEU . 2.3 pp -66.03 125.17 24.61 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.871 -0.604 . . . . 74.54 112.08 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 64.5 mtt 40.73 -83.03 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.844 1.258 . . . . 54.4 113.87 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.35 -53.63 0.13 Allowed Glycine 0 C--N 1.343 0.933 0 C-N-CA 121.59 -0.338 . . . . 70.51 112.482 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.6 120.16 1.53 Allowed Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.544 -0.36 . . . . 74.41 112.456 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.76 149.86 24.61 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.617 0.245 . . . . 65.14 111.216 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -106.5 -43.63 4.7 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.87 -0.605 . . . . 72.34 111.194 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.03 -98.55 1.11 Allowed Glycine 0 C--N 1.341 0.83 0 O-C-N 123.402 0.439 . . . . 61.51 112.671 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 9.6 m-20 59.8 103.83 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.876 0.871 . . . . 72.42 111.812 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -88.23 -18.96 27.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.483 -0.781 . . . . 72.23 112.163 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.54 -21.79 30.35 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.299 0.481 . . . . 71.35 112.299 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.2 -35.23 18.68 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.013 0.375 . . . . 75.34 112.013 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.0 ptm180 -86.45 -10.54 53.99 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.508 0.559 . . . . 74.03 112.508 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 1.6 tt -95.6 -46.49 6.62 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.085 0.241 . . . . 75.21 111.109 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.448 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.9 pp -143.41 130.63 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.295 0.372 . . . . 74.41 111.348 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.2 t -146.49 127.11 14.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.834 -0.621 . . . . 74.35 110.923 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -131.88 124.35 29.34 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.833 -0.621 . . . . 73.34 110.847 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.98 151.38 51.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.76 -0.654 . . . . 71.01 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -97.76 139.45 33.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.861 -0.609 . . . . 74.35 110.852 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 45.35 104.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.769 1.228 . . . . 73.5 113.33 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -114.07 153.5 29.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.643 -0.708 . . . . 73.42 111.238 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 63.13 126.28 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.965 0.906 . . . . 74.12 112.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -127.82 144.52 51.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.721 -0.672 . . . . 74.15 110.424 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -100.02 150.96 21.91 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.967 -0.56 . . . . 75.03 110.771 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.05 -33.71 8.69 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.841 -0.618 . . . . 71.34 111.789 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.34 -38.63 14.01 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.334 0.396 . . . . 72.43 111.974 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -96.07 130.87 42.98 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.355 0.409 . . . . 73.4 110.995 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -127.32 -161.46 10.83 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.808 -0.633 . . . . 71.42 112.653 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.422 HG22 ' OD1' ' A' ' 121' ' ' ASP . 3.6 tp -120.1 151.44 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 122.347 0.259 . . . . 74.12 110.737 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.422 ' OD1' HG22 ' A' ' 120' ' ' ILE . 4.8 p-10 49.5 131.64 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 125.184 1.394 . . . . 74.34 114.063 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 71.65 -47.74 0.67 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.556 1.142 . . . . 75.0 112.549 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 118.07 -0.967 . . . . 75.3 112.046 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.493 0.187 . . . . 74.15 110.572 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 3' ' ' ARG . 2.5 tt -101.94 129.01 48.1 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.91 -0.586 . . . . 73.21 110.52 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.431 ' O ' HD22 ' A' ' 2' ' ' LEU . 99.3 mtt180 -65.75 146.09 55.2 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.842 -0.617 . . . . 71.44 112.032 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.17 141.73 48.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.916 -0.584 . . . . 73.23 110.754 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -132.1 152.74 51.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.903 -0.59 . . . . 72.22 111.025 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.09 -147.88 23.33 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 115.879 -0.601 . . . . 72.24 112.424 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.42 149.61 23.88 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.861 0.362 . . . . 75.2 111.139 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -111.41 -9.4 14.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.319 -0.855 . . . . 71.04 110.818 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.583 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -96.15 86.33 0.92 Allowed Glycine 0 C--N 1.34 0.76 0 CA-C-N 115.666 -0.697 . . . . 63.22 113.091 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 16' ' ' LYS . 2.5 mp -57.39 158.76 5.31 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.532 0.733 . . . . 75.44 111.985 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 49.6 t -76.17 119.1 19.62 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 121.054 0.454 . . . . 74.54 110.424 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -65.67 -15.85 63.18 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.543 0.942 . . . . 65.22 113.543 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -97.62 -39.02 9.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.989 0.366 . . . . 73.32 111.989 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.3 m -92.8 -23.79 18.74 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.254 0.465 . . . . 73.22 112.254 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.78 30.24 16.71 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.574 0.702 . . . . 63.35 110.079 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' C ' HD23 ' A' ' 10' ' ' LEU . 68.6 mmtt -113.05 153.43 28.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.859 -1.064 . . . . 75.41 110.802 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -65.51 115.23 5.52 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.886 -0.597 . . . . 73.24 111.077 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 9' ' ' GLY . 21.2 mt -74.43 97.32 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.261 -0.644 . . . . 74.1 109.261 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -148.34 179.8 7.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.85 -1.068 . . . . 73.25 111.844 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 53.25 -80.72 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.844 1.258 . . . . 73.32 113.874 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.0 t80 -75.98 -56.14 4.94 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 122.499 0.32 . . . . 64.44 110.683 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 28.66 -83.21 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.179 1.392 . . . . 64.3 114.741 179.133 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.9 mtt 49.11 48.92 20.34 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.018 0.927 . . . . 73.45 111.747 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.6 p -126.02 164.0 21.8 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.485 -0.779 . . . . 74.24 112.297 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -96.83 169.15 10.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.388 -0.824 . . . . 73.33 110.616 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -87.98 120.08 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.76 0.315 . . . . 75.34 111.192 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.7 t -93.45 -179.26 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.692 -0.685 . . . . 71.34 109.542 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.0 mttt -53.74 -69.95 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.042 0.756 . . . . 71.52 113.042 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.65 -40.78 2.62 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.091 0.404 . . . . 72.31 112.091 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.8 mttt -107.15 136.6 46.72 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.409 0.443 . . . . 74.21 111.994 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 17.3 t -104.46 144.42 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.97 -0.752 . . . . 72.34 108.97 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' O ' HG23 ' A' ' 24' ' ' THR . 23.6 m-85 -132.82 151.47 52.01 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.236 -0.438 . . . . 73.03 111.15 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.876 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 47.1 m80 -65.49 161.33 20.29 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.674 0.39 . . . . 74.32 110.464 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -61.56 -45.23 95.03 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 111.563 0.208 . . . . 74.42 111.563 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.25 -21.75 66.3 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.284 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.876 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 5.5 m -91.8 -6.34 51.91 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.626 -0.715 . . . . 64.13 111.691 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.85 55.56 2.43 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.478 0.656 . . . . 74.33 110.071 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -120.85 160.66 22.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.165 -0.925 . . . . 74.22 111.627 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 38.1 t -66.11 147.08 53.88 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.194 0.598 . . . . 74.45 111.688 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.75 -7.98 32.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.018 -0.537 . . . . 65.45 111.941 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.427 ' HB1' ' OD2' ' A' ' 64' ' ' ASP . . . -99.98 -48.62 4.6 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.958 0.355 . . . . 62.42 111.958 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 24.5 p -113.39 -2.58 13.93 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.187 0.304 . . . . 72.25 111.809 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.3 mm-40 64.86 12.82 8.07 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.098 0.959 . . . . 74.42 113.095 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.589 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.8 tttt -65.99 162.54 19.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.593 0.357 . . . . 72.43 111.378 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.9 152.74 19.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.988 -0.551 . . . . 71.44 111.104 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 20.8 m-85 -105.15 143.24 33.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.723 -0.671 . . . . 74.55 111.073 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 m -120.76 160.47 23.29 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.396 -0.82 . . . . 65.21 111.259 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.8 133.69 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 116.053 -0.521 . . . . 74.21 112.339 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.06 -23.05 26.29 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.997 -0.547 . . . . 73.41 113.515 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -94.26 150.66 20.09 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.761 0.281 . . . . 71.24 111.346 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.67 139.43 31.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.853 -0.612 . . . . 74.23 110.917 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -132.36 156.28 46.9 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.421 0.451 . . . . 65.34 111.795 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.62 127.45 55.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.572 -0.74 . . . . 72.44 109.418 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.76 114.83 27.48 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.981 -0.554 . . . . 61.4 110.543 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -90.44 176.22 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.691 -0.686 . . . . 73.45 110.73 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -47.96 -34.53 9.33 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.813 1.042 . . . . 75.13 113.813 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -120.11 -56.62 1.99 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.916 0.71 . . . . 70.43 112.916 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.583 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.2 m-20 -120.28 -163.49 1.01 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.058 0.392 . . . . 75.52 112.058 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.1 mp -109.93 143.79 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 122.723 0.409 . . . . 75.25 110.097 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.504 HG22 ' CD1' ' A' ' 68' ' ' TRP . 11.0 t -120.2 128.92 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.926 -0.579 . . . . 75.51 109.903 179.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.19 159.44 23.59 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.917 -0.583 . . . . 72.41 112.222 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.639 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.5 mt-10 -60.57 -22.8 64.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.005 -0.543 . . . . 74.23 111.746 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.05 -41.48 86.43 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.209 -0.45 . . . . 75.13 111.766 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.427 ' OD2' ' HB1' ' A' ' 41' ' ' ALA . 5.8 m-20 -110.36 5.53 21.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.484 0.549 . . . . 42.3 112.484 -178.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.72 -52.69 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 113.225 0.824 . . . . 74.41 113.225 -178.294 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.467 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 59.9 t80 -62.05 -52.26 64.66 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.599 0.592 . . . . 72.11 112.599 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.56 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.11 -40.08 94.02 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.868 0.692 . . . . 63.44 112.868 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.504 ' CD1' HG22 ' A' ' 60' ' ' VAL . 54.5 t-105 -65.44 -52.41 53.36 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.572 0.349 . . . . 73.13 111.452 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 p -61.53 -29.16 69.82 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.147 0.499 . . . . 73.14 111.292 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 7.1 tptp -65.08 -39.3 93.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.213 -0.903 . . . . 74.32 112.489 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.8 mm -84.5 -47.58 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 74.41 113.144 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -97.81 -30.13 12.95 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.548 0.944 . . . . 74.11 113.548 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.62 159.11 23.8 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 121.061 -0.59 . . . . 72.21 112.933 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 169.36 -106.51 0.25 Allowed Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.516 -0.373 . . . . 72.31 112.506 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.8 p 52.94 110.99 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.341 1.056 . . . . 74.05 112.82 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.77 -104.62 0.38 Allowed Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.652 -0.704 . . . . 65.43 112.535 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.55 -55.87 0.42 Allowed Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.508 -0.377 . . . . 75.05 112.495 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.9 m -99.36 -43.73 6.46 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.323 0.249 . . . . 62.24 111.254 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.62 -109.06 2.97 Favored Glycine 0 C--N 1.34 0.758 0 O-C-N 123.446 0.466 . . . . 53.13 112.566 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.5 -54.69 0.62 Allowed Glycine 0 C--N 1.337 0.592 0 C-N-CA 121.409 -0.424 . . . . 71.44 112.424 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.8 m -99.83 141.45 32.62 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.634 0.255 . . . . 75.44 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -101.29 -83.97 1.77 Allowed Glycine 0 C--N 1.337 0.613 0 O-C-N 123.7 0.625 . . . . 73.23 112.517 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.24 54.37 0.01 OUTLIER Glycine 0 C--N 1.337 0.627 0 C-N-CA 121.389 -0.434 . . . . 72.21 112.604 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.17 119.42 24.05 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.66 0.267 . . . . 73.24 110.789 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -128.48 150.66 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.813 -0.631 . . . . 72.11 109.937 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.6 mmt -116.15 146.1 42.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 73.44 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.62 147.92 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.812 -0.631 . . . . 74.41 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.6 t -65.51 111.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 116.113 -0.494 . . . . 74.34 110.917 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.94 156.96 49.17 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.786 -0.643 . . . . 72.13 113.582 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.81 137.62 96.21 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-O 119.099 -0.477 . . . . 73.12 111.577 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.68 153.87 43.78 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.45 2.1 . . . . 72.51 112.776 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 p -115.13 124.62 51.96 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.858 -0.61 . . . . 74.13 110.884 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.61 123.9 20.93 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.972 -0.558 . . . . 74.54 111.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -43.41 88.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.893 -0.594 . . . . 54.4 111.855 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.14 -91.96 0.09 OUTLIER Glycine 0 C--N 1.34 0.791 0 O-C-N 123.469 0.481 . . . . 70.51 112.466 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.24 -146.98 6.56 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.417 -0.42 . . . . 74.41 112.555 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.76 152.08 20.92 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.338 0.255 . . . . 65.14 110.94 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.85 -43.6 7.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.895 -0.593 . . . . 72.34 111.281 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.23 -136.35 12.56 Favored Glycine 0 C--N 1.34 0.759 0 O-C-N 123.347 0.404 . . . . 61.51 112.708 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.5 m-20 -142.55 94.05 2.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.214 0.531 . . . . 72.42 110.168 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.44 -18.71 37.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.226 -0.897 . . . . 72.23 112.221 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -83.1 -22.3 33.45 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.131 0.419 . . . . 71.35 112.131 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -87.2 -37.84 16.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.475 0.31 . . . . 75.34 111.763 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 38.0 ptt180 -87.04 13.47 9.2 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.08 0.4 . . . . 74.03 112.08 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -82.02 -39.35 23.66 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.212 -0.449 . . . . 75.21 111.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -96.41 113.88 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.416 0.447 . . . . 74.41 111.254 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -140.5 152.3 45.49 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.877 -0.601 . . . . 74.35 111.172 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -108.13 146.47 32.63 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.814 -0.63 . . . . 73.34 110.511 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.17 141.24 35.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.984 -0.553 . . . . 71.01 110.915 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -116.81 149.79 39.41 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.887 -0.597 . . . . 74.35 110.806 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.04 130.81 47.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.904 -0.589 . . . . 73.5 110.807 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -106.09 146.51 30.07 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.864 -0.607 . . . . 73.42 111.175 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -106.06 147.37 29.0 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 74.12 110.828 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -124.42 130.95 53.41 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 74.15 110.607 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -128.9 145.91 51.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.839 -0.619 . . . . 75.03 110.831 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -125.39 133.45 52.51 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.891 -0.595 . . . . 71.34 111.167 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.98 -42.67 6.67 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.919 -0.582 . . . . 72.43 111.447 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 45.3 105.55 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.827 1.251 . . . . 73.4 113.414 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -178.1 -57.07 0.07 OUTLIER Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.54 -0.755 . . . . 71.42 112.512 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -117.56 149.09 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 123.6 0.236 . . . . 74.12 111.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.14 129.96 47.36 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.899 -0.591 . . . . 74.34 110.904 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.42 146.29 50.84 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.833 -0.621 . . . . 75.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.119 -0.943 . . . . 75.3 110.885 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 111.466 0.172 . . . . 75.44 111.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 47.6 t -80.98 105.42 12.19 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 121.352 0.596 . . . . 74.54 110.705 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.95 -8.27 21.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.118 . . . . 62.14 114.02 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.1 t -91.71 -50.87 5.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.754 0.279 . . . . 73.32 111.754 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 p -101.41 -2.5 30.71 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.823 0.305 . . . . 65.02 111.823 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 55.66 44.57 26.23 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.909 0.883 . . . . 63.35 111.867 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.32 149.53 42.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.5 -0.773 . . . . 72.21 110.156 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -65.39 124.9 23.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.701 -0.681 . . . . 73.24 112.015 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 22' ' ' GLU . 30.8 mt -87.72 98.37 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.919 -0.771 . . . . 73.32 108.919 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.4 tmt_? -147.84 159.72 43.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.415 -0.811 . . . . 73.25 111.951 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.503 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.34 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.978 1.311 . . . . 73.32 114.36 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.496 ' O ' ' HG3' ' A' ' 23' ' ' MET . 11.9 t80 -68.94 -63.42 1.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.566 0.347 . . . . 62.12 111.359 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 34.28 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.9 1.28 . . . . 64.3 114.271 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.576 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 66.0 mtt 50.81 55.82 8.95 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.93 0.892 . . . . 73.45 111.557 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 32' ' ' TYR . 24.5 p -132.74 165.51 24.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.209 -0.905 . . . . 74.24 112.065 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.512 ' SD ' ' HA3' ' A' ' 89' ' ' GLY . 21.1 ttp -93.45 160.06 14.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.409 -0.814 . . . . 73.33 110.054 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' N ' ' HG2' ' A' ' 25' ' ' MET . 38.5 ttt180 -84.71 115.62 22.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.192 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -87.51 -179.22 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 115.71 -0.677 . . . . 61.35 110.293 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.621 ' H ' HG12 ' A' ' 27' ' ' VAL . 65.7 mttm -51.19 -67.38 0.26 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.475 0.917 . . . . 71.52 113.475 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -120.53 -42.87 2.52 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.121 0.415 . . . . 64.13 112.121 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 72.1 mttt -108.14 144.62 35.29 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.259 0.35 . . . . 74.21 111.896 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 4.9 t -105.47 143.19 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.646 -0.706 . . . . 70.13 109.195 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 33.1 m-85 -134.23 152.16 51.68 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.337 0.398 . . . . 73.03 111.458 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.739 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 38.1 m80 -65.65 159.72 24.24 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.132 0.573 . . . . 71.24 111.436 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.39 -44.32 87.91 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.135 0.272 . . . . 74.42 110.802 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.11 -28.04 68.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.872 -0.604 . . . . 72.11 111.024 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -88.05 -3.26 58.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.463 -0.79 . . . . 50.41 111.424 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -85.85 62.1 7.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.475 0.655 . . . . 74.33 110.066 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.4 mttt -120.26 162.9 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.228 -0.896 . . . . 61.52 111.496 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 8.9 t -66.16 147.5 53.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.918 -0.583 . . . . 74.45 111.978 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 58' ' ' ASP . . . -82.9 -18.63 39.51 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.544 0.572 . . . . 44.53 112.544 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -108.13 -43.75 4.32 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.19 0.441 . . . . 62.42 112.19 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -95.39 -19.99 19.47 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.331 0.394 . . . . 72.25 111.89 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 67.36 2.0 2.69 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.054 0.941 . . . . 74.42 112.357 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -66.16 162.98 18.63 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.223 0.609 . . . . 63.34 111.494 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -97.51 148.3 23.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.04 -0.527 . . . . 71.44 111.119 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -98.7 153.11 18.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.695 -0.684 . . . . 74.55 110.814 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.6 p -120.55 157.64 29.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.438 -0.801 . . . . 65.21 111.199 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.63 132.58 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.045 -0.525 . . . . 73.4 112.004 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -16.02 36.49 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.583 0.552 . . . . 64.22 113.205 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.62 150.67 21.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.336 0.255 . . . . 71.24 110.946 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.16 131.84 34.56 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -121.41 154.73 36.13 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.504 0.503 . . . . 65.34 111.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.61 126.34 51.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.583 -0.735 . . . . 63.11 109.594 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 tt -87.63 113.42 23.3 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.856 -0.611 . . . . 55.3 110.726 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -90.5 176.32 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.427 -0.806 . . . . 70.24 110.755 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -47.94 -35.68 11.12 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.795 1.035 . . . . 75.13 113.795 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.507 ' H ' HG23 ' A' ' 55' ' ' ILE . 54.0 p -109.3 -69.84 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.284 0.476 . . . . 70.43 112.284 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.9 m-20 -120.37 -161.12 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.242 0.217 . . . . 75.52 111.403 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -92.16 138.68 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.605 0.362 . . . . 73.24 110.266 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.535 HG13 ' OD2' ' A' ' 64' ' ' ASP . 88.5 t -120.52 116.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.864 -0.607 . . . . 72.23 110.377 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 p -66.26 158.72 28.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.31 -0.404 . . . . 72.41 111.912 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.593 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.83 -17.96 28.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.419 0.896 . . . . 74.23 113.419 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -65.86 -45.09 83.43 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.793 0.664 . . . . 75.13 112.793 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.535 ' OD2' HG13 ' A' ' 60' ' ' VAL . 10.9 p-10 -110.83 5.12 20.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.03 0.752 . . . . 42.3 113.03 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -53.7 -49.94 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 113.028 0.751 . . . . 73.54 113.028 -178.337 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.531 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 54.5 t80 -61.61 -53.81 51.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.062 0.393 . . . . 70.12 112.062 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.7 mt-10 -65.39 -38.05 88.84 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.013 0.746 . . . . 63.44 113.013 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.515 ' HE1' HG12 ' A' ' 55' ' ' ILE . 56.1 t-105 -65.35 -53.41 43.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.727 0.411 . . . . 73.13 111.711 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -64.69 -29.6 70.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.765 0.426 . . . . 70.34 111.722 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 36.4 tttp -65.39 -37.43 86.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.368 -0.833 . . . . 73.44 112.684 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 67' ' ' GLU . 30.0 mm -83.97 -47.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.492 0.553 . . . . 74.41 112.492 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -94.76 5.42 51.93 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.912 0.708 . . . . 73.23 112.912 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.619 0 C-N-CA 121.2 -0.524 . . . . 72.21 112.503 179.713 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.554 0.216 . . . . 73.24 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.64 145.83 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 115.93 -0.577 . . . . 64.22 109.922 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -119.57 147.93 43.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.698 -0.683 . . . . 73.44 111.213 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.85 145.17 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.741 -0.663 . . . . 61.23 110.318 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.55 109.31 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-O 120.946 0.403 . . . . 74.03 111.196 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.512 ' HA3' ' SD ' ' A' ' 25' ' ' MET . . . -67.39 150.13 51.41 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.421 -0.809 . . . . 65.22 113.666 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.2 155.73 86.82 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.117 -0.468 . . . . 70.12 111.148 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.0 Cg_endo -81.56 133.88 8.5 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.337 2.025 . . . . 72.51 112.708 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -115.44 117.73 31.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.972 -0.558 . . . . 74.13 111.04 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -65.89 126.54 28.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.771 -0.65 . . . . 74.54 112.184 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 20.5 mmt -65.94 -17.77 64.89 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.843 0.683 . . . . 54.23 112.843 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.43 77.62 2.0 Allowed Glycine 0 C--N 1.342 0.895 0 O-C-N 123.318 0.387 . . . . 64.12 112.967 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.32 111.04 0.49 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.609 -0.329 . . . . 74.41 112.318 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.52 124.18 43.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.664 0.268 . . . . 65.14 111.017 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -124.99 82.97 2.11 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 115.71 -0.677 . . . . 72.24 110.522 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.21 164.15 25.91 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.08 -0.964 . . . . 61.51 112.543 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -128.86 82.66 2.1 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.306 0.574 . . . . 72.42 110.939 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -88.39 -18.88 27.43 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.35 -0.841 . . . . 62.44 112.098 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.78 -31.79 25.72 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.15 0.426 . . . . 61.45 112.15 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.26 -8.78 58.93 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.003 0.371 . . . . 75.34 112.003 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -92.43 -28.88 16.58 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.38 -0.373 . . . . 72.2 111.546 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.72 -42.85 8.93 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.328 0.392 . . . . 75.13 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.414 ' O ' HD12 ' A' ' 106' ' ' ILE . 2.1 pp -130.94 135.59 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.317 -0.401 . . . . 42.53 111.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.6 p -99.3 115.96 30.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.957 -0.565 . . . . 74.35 111.216 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.26 144.13 42.56 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.725 -0.671 . . . . 72.22 110.6 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.65 140.4 34.98 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.989 -0.55 . . . . 63.32 110.956 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -137.84 146.94 44.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.8 -0.636 . . . . 74.13 110.806 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -109.31 124.72 51.41 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.896 -0.593 . . . . 73.5 110.77 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -120.11 146.44 45.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.902 -0.59 . . . . 73.42 111.153 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -128.71 126.56 40.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.819 -0.628 . . . . 53.12 110.404 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--O 1.235 0.307 0 CA-C-N 115.891 -0.595 . . . . 72.15 110.522 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 111.448 0.166 . . . . 75.44 111.448 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.24 110.35 16.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.293 0.568 . . . . 74.54 111.352 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.24 -9.87 36.51 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.843 1.053 . . . . 62.14 113.843 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 t -91.79 -53.86 4.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.988 0.366 . . . . 73.32 111.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.7 p -98.1 -2.49 39.96 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.965 0.357 . . . . 65.02 111.965 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 54.52 43.35 30.44 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.834 0.854 . . . . 63.35 111.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -120.26 151.05 39.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.448 -0.796 . . . . 72.21 110.547 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -65.61 120.98 13.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.815 -0.629 . . . . 73.24 112.011 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.484 HG12 ' NE2' ' A' ' 33' ' ' HIS . 25.7 mt -80.46 98.41 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 115.88 -0.6 . . . . 73.32 109.587 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -147.67 172.63 13.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.488 -0.778 . . . . 73.25 112.019 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.48 -80.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.878 1.271 . . . . 73.32 114.107 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.489 ' O ' ' HG3' ' A' ' 23' ' ' MET . 16.2 t80 -75.6 -54.16 7.43 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.616 0.366 . . . . 62.12 111.044 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 23' ' ' MET . 0.0 OUTLIER 34.01 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.016 1.326 . . . . 64.3 114.419 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 66.5 mtt 51.29 46.52 26.35 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.706 0.802 . . . . 73.45 111.233 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -104.41 159.5 15.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.042 -0.981 . . . . 74.24 112.147 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.55 171.51 7.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.24 -0.891 . . . . 73.33 110.512 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.79 113.03 23.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.884 0.373 . . . . 74.14 111.077 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -97.06 -179.2 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.638 -0.71 . . . . 61.35 109.658 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.641 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.4 mttt -54.37 -69.98 0.11 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.0 0.741 . . . . 71.52 113.0 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -43.3 2.51 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.96 0.355 . . . . 64.13 111.96 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.2 mttt -110.39 141.24 43.72 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.407 0.442 . . . . 74.21 111.47 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 t -101.05 142.54 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.254 -0.647 . . . . 70.13 109.254 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 24.1 m-85 -127.41 150.73 49.5 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.16 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.699 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.6 m80 -65.09 157.84 27.47 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.497 0.498 . . . . 71.24 111.321 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.4 pp -65.29 -45.5 84.16 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.16 0.288 . . . . 74.42 110.641 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 43.5 mt-10 -66.28 -30.21 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.783 -0.644 . . . . 72.11 111.238 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.699 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 33.8 m -84.97 -3.52 58.79 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.65 -0.705 . . . . 50.41 111.662 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -88.89 63.05 6.63 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.554 0.692 . . . . 74.33 110.239 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 35' ' ' GLU . 98.1 mttt -120.43 160.59 22.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.18 -0.918 . . . . 61.52 111.325 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 42.0 t -66.06 146.88 54.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.003 -0.544 . . . . 74.45 111.672 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.1 -3.29 57.24 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.847 -0.615 . . . . 44.53 112.13 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.09 -48.06 3.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.143 0.423 . . . . 62.42 112.143 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 23.3 p -113.71 -3.46 13.54 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.096 0.406 . . . . 72.25 112.096 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 16.3 mm-40 63.44 15.77 9.03 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.942 0.897 . . . . 74.42 113.014 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.2 tttm -65.74 163.97 15.53 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.691 0.396 . . . . 63.34 111.548 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.407 ' CE1' ' HE2' ' A' ' 38' ' ' LYS . 62.0 m80 -94.08 154.79 17.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.962 -0.563 . . . . 71.44 111.171 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -113.21 142.22 46.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.724 -0.671 . . . . 74.55 110.663 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 p -120.82 159.02 26.32 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.423 -0.808 . . . . 65.21 111.329 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.81 136.29 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 116.014 -0.539 . . . . 73.4 112.103 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.96 -22.49 27.55 Favored Glycine 0 C--N 1.338 0.66 0 CA-C-N 115.93 -0.577 . . . . 64.22 113.21 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.63 151.97 19.54 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.591 0.234 . . . . 71.24 111.175 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -85.45 138.52 32.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.811 -0.631 . . . . 74.23 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.05 154.92 45.12 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.373 0.42 . . . . 65.34 111.527 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tp -109.19 129.92 55.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 63.11 110.015 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -97.59 106.05 18.3 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.811 -0.631 . . . . 55.3 109.992 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -92.92 175.73 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 115.804 -0.635 . . . . 70.24 110.994 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -48.83 -35.93 15.67 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.82 1.044 . . . . 75.13 113.82 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.529 ' H ' HG23 ' A' ' 55' ' ' ILE . 17.2 t -107.66 -73.85 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.341 0.497 . . . . 70.43 112.341 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.4 m-20 -120.35 -166.94 1.37 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.871 0.322 . . . . 75.52 111.871 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -93.72 143.27 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 122.851 0.46 . . . . 73.24 110.192 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.0 t -120.4 127.52 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 116.003 -0.544 . . . . 72.23 110.162 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.34 157.53 28.92 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.168 0.587 . . . . 72.41 112.257 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.668 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -60.28 -22.55 63.27 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.945 -0.57 . . . . 74.23 111.886 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -67.06 -40.59 87.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.257 -0.428 . . . . 75.13 111.613 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -110.33 5.37 21.55 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.694 0.627 . . . . 42.3 112.694 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.42 -52.64 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 113.058 0.762 . . . . 73.54 113.058 -178.512 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.2 t80 -61.6 -52.34 64.78 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.522 0.564 . . . . 70.12 112.522 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.569 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.11 -39.81 93.62 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.867 0.692 . . . . 63.44 112.867 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 59.9 t-105 -65.4 -54.45 28.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.635 0.374 . . . . 73.13 111.652 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -60.24 -29.49 68.79 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.042 0.449 . . . . 70.34 111.442 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.8 tttm -65.16 -37.59 87.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.138 -0.937 . . . . 73.44 112.632 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.4 mm -84.05 -47.43 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.525 . . . . 74.41 112.419 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -93.17 5.38 51.72 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.701 0.63 . . . . 73.23 112.701 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.633 0 C-N-CA 121.162 -0.542 . . . . 72.21 112.411 179.758 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.525 0.203 . . . . 73.24 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.95 129.0 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.943 -0.571 . . . . 64.22 110.094 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 mtt -120.23 160.96 21.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.605 -0.725 . . . . 73.44 111.367 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.46 148.89 4.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.823 -0.626 . . . . 61.23 110.418 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.42 110.11 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 116.303 -0.408 . . . . 74.03 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.64 151.1 52.25 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 115.494 -0.775 . . . . 65.22 113.431 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.22 148.77 98.33 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-O 118.984 -0.532 . . . . 70.12 111.366 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 23' ' ' MET . 4.4 Cg_exo -79.63 155.3 24.16 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.368 2.045 . . . . 72.51 112.676 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -119.25 116.65 26.69 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.577 0.548 . . . . 74.13 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.89 127.31 31.53 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.844 -0.617 . . . . 74.54 111.526 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.0 mmt 40.97 -82.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.918 1.287 . . . . 54.23 113.719 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.58 -76.39 1.15 Allowed Glycine 0 C--N 1.343 0.92 0 C-N-CA 121.438 -0.41 . . . . 64.12 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.39 154.41 14.2 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.461 -0.4 . . . . 74.41 112.513 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 60.68 149.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.166 0.987 . . . . 65.14 112.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -97.91 -41.78 7.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.709 -0.678 . . . . 72.24 111.244 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.87 121.61 0.77 Allowed Glycine 0 C--N 1.34 0.791 0 O-C-N 123.392 0.432 . . . . 61.51 112.38 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -137.25 88.76 2.37 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.372 0.606 . . . . 72.42 110.57 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 11.8 tt0 -88.18 -18.94 27.63 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.219 -0.901 . . . . 62.44 111.671 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -84.53 -17.02 40.26 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.449 0.537 . . . . 61.45 112.449 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.12 -38.88 16.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.045 0.387 . . . . 75.34 112.045 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.422 HH21 ' HG3' ' A' ' 101' ' ' GLU . 7.7 ppt_? -88.27 2.86 51.47 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.24 0.459 . . . . 72.2 112.24 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 4.8 tp -95.54 -40.77 9.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.362 -0.381 . . . . 75.13 111.187 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 pp -97.77 152.95 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.386 0.429 . . . . 42.53 111.53 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -116.46 -27.05 6.88 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.745 -0.661 . . . . 74.35 111.701 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 64.59 128.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.013 0.925 . . . . 72.22 112.029 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -129.28 153.51 47.73 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.669 -0.696 . . . . 63.32 110.822 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.19 149.2 21.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.964 -0.562 . . . . 74.13 111.132 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.37 -34.59 10.24 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.811 -0.631 . . . . 73.5 111.18 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.4 p 41.49 109.04 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.767 1.227 . . . . 73.42 113.887 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 64.41 131.95 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.037 0.935 . . . . 53.12 112.123 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.465 0.285 0 CA-C-N 115.662 -0.699 . . . . 72.15 110.933 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 111.683 0.253 . . . . 75.44 111.683 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.2 120.92 7.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.457 0.703 . . . . 74.54 112.805 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.9 66.45 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.322 1.23 . . . . 62.14 114.322 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -89.08 -53.91 4.36 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.348 0.87 . . . . 73.32 113.348 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 p -97.95 6.35 47.8 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.447 0.536 . . . . 65.02 112.447 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.09 51.88 5.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.305 1.042 . . . . 63.35 112.918 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 55.1 mmtt -120.02 144.78 47.35 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.391 -0.822 . . . . 72.21 110.571 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -56.97 123.81 16.47 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.882 0.697 . . . . 73.24 112.882 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.418 HG21 HG21 ' A' ' 24' ' ' THR . 16.4 mt -84.17 135.12 25.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.549 -0.75 . . . . 73.32 110.036 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' H ' ' CG ' ' A' ' 22' ' ' GLU . 99.2 mtt180 -139.03 -173.74 3.66 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.035 0.534 . . . . 73.25 112.288 -177.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.587 ' O ' ' HB3' ' A' ' 93' ' ' LEU . . . -67.61 3.12 1.49 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.693 1.368 . . . . 73.32 114.693 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 94' ' ' MET . 1.8 t80 -117.67 -33.44 4.54 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.591 0.71 . . . . 62.12 109.187 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 5.6 mm-40 -56.09 -21.49 22.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 115.393 1.627 . . . . 64.3 115.393 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' ' HB ' ' A' ' 92' ' ' THR . 32.0 mtt 63.63 135.44 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 118.545 0.612 . . . . 73.45 110.895 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.73 ' H ' ' HA ' ' A' ' 92' ' ' THR . 3.9 p -151.5 127.11 10.13 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.34 0.867 . . . . 74.24 113.34 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.578 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -120.31 147.04 45.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.281 178.459 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.815 ' H ' ' H ' ' A' ' 90' ' ' GLU . 21.1 ttt180 -74.07 110.39 8.32 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.168 0.508 . . . . 74.14 111.888 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.1 t -103.94 -178.91 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.151 -0.931 . . . . 61.35 109.239 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.65 ' H ' HG12 ' A' ' 27' ' ' VAL . 95.7 mttt -51.4 -66.13 0.44 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.992 0.738 . . . . 71.52 112.992 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.71 -42.46 2.52 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.318 0.488 . . . . 64.13 112.318 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 38.5 mttm -115.96 148.39 40.14 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.05 0.389 . . . . 74.21 112.05 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 25' ' ' MET . 21.4 t -100.75 151.66 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.898 -0.779 . . . . 70.13 108.898 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.463 ' H ' ' HE2' ' A' ' 25' ' ' MET . 64.1 m-85 -131.72 153.73 49.74 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.79 0.663 . . . . 73.03 112.79 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.715 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 2.9 m80 -65.91 159.83 24.73 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.887 -1.051 . . . . 71.24 113.029 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.602 ' HB3' ' HB2' ' A' ' 23' ' ' MET . 2.4 pp -56.29 -48.17 77.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.454 -0.573 . . . . 74.42 109.454 174.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' H ' ' HG ' ' A' ' 34' ' ' LEU . 45.5 mt-10 -65.35 -29.7 70.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.419 -0.81 . . . . 72.11 110.579 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.715 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -93.15 4.07 54.61 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.402 -0.817 . . . . 50.41 111.207 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.654 ' HA ' HD13 ' A' ' 59' ' ' ILE . 27.4 t80 -133.96 52.47 2.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.527 0.68 . . . . 74.33 109.858 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 157.45 33.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.504 -0.771 . . . . 61.52 111.238 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.1 t -66.38 139.55 58.02 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.058 0.223 . . . . 74.45 110.482 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.36 2.23 55.82 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.823 0.675 . . . . 44.53 112.823 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -116.45 -50.87 2.62 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.251 0.463 . . . . 62.42 112.251 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.543 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 18.5 p -99.8 -3.8 31.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.584 0.231 . . . . 72.25 111.422 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.12 9.9 5.06 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.301 1.04 . . . . 74.42 113.204 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.543 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 12.9 tptm -66.24 157.67 30.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.792 0.329 . . . . 63.34 111.271 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.409 ' HB3' ' OE2' ' A' ' 97' ' ' GLU . 10.0 p80 -105.61 145.53 30.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.663 -0.699 . . . . 71.44 110.632 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.22 135.51 40.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.846 -0.616 . . . . 74.55 110.928 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 m -120.78 171.49 8.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.878 -1.055 . . . . 65.21 111.258 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.32 124.79 20.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 122.883 0.473 . . . . 73.4 111.944 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.08 6.3 37.02 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.763 -0.653 . . . . 64.22 113.843 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -118.36 147.56 43.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.123 0.461 . . . . 71.24 111.349 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -86.11 139.2 31.32 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.82 -0.627 . . . . 74.23 111.0 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.541 ' OH ' HG13 ' A' ' 27' ' ' VAL . 39.2 p90 -137.97 158.52 44.17 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.457 0.473 . . . . 65.34 111.925 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 65' ' ' ILE . 5.0 tt -120.09 129.34 54.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.228 -0.896 . . . . 63.11 108.795 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 55' ' ' ILE . 3.2 tt -89.43 115.65 27.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.105 -0.498 . . . . 55.3 111.699 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.2 tp -86.24 176.62 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 115.203 -0.908 . . . . 70.24 109.713 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' H ' HG13 ' A' ' 55' ' ' ILE . 10.3 m120 -47.71 -38.41 15.17 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.578 0.955 . . . . 75.13 113.578 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.3 t -120.56 -49.57 2.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.774 0.657 . . . . 70.43 112.774 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.567 ' O ' HG22 ' A' ' 55' ' ' ILE . 1.5 m-20 -116.35 -158.89 0.7 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.272 0.471 . . . . 75.52 112.272 -178.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' A' ' 37' ' ' PHE . 4.5 mp -120.16 134.85 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.12 0.568 . . . . 73.24 109.862 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 68' ' ' TRP . 28.6 t -121.08 127.7 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 123.54 0.525 . . . . 72.23 110.552 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.6 p -65.85 149.64 49.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.351 0.407 . . . . 72.41 111.393 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.514 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.14 -18.66 26.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.319 0.859 . . . . 74.23 113.319 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -65.78 -51.38 59.57 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.093 0.405 . . . . 75.13 112.093 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.8 p30 -110.89 15.36 21.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.556 0.576 . . . . 42.3 112.556 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -56.76 -46.47 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 N-CA-C 112.774 0.657 . . . . 73.54 112.774 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.35 -49.21 70.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.874 0.469 . . . . 70.12 111.702 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -65.7 -28.98 69.47 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.848 0.684 . . . . 63.44 112.848 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.546 ' HE1' HG12 ' A' ' 55' ' ' ILE . 58.3 t-105 -62.87 -57.11 11.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.683 0.253 . . . . 73.13 111.683 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.6 p -66.95 -30.39 70.51 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.883 0.373 . . . . 70.34 111.587 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -66.09 -41.43 90.65 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.285 -0.87 . . . . 73.44 112.578 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 67' ' ' GLU . 43.9 mm -84.66 -32.78 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.538 0.57 . . . . 74.41 112.538 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -68.71 -30.19 68.78 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.062 0.764 . . . . 73.23 113.062 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.503 ' HA2' ' ND2' ' A' ' 111' ' ' ASN . . . . . . . . 0 C--N 1.343 0.928 0 C-N-CA 121.474 -0.394 . . . . 72.21 113.187 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 120.565 0.222 . . . . 73.24 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 t -115.22 144.59 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.875 -0.602 . . . . 64.22 109.9 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.7 mmt -120.08 145.35 46.96 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.777 -0.647 . . . . 73.44 111.224 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.24 157.23 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.667 -0.697 . . . . 61.23 110.513 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 110.17 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 116.041 -0.527 . . . . 74.03 111.082 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 -120.68 0.01 OUTLIER Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.245 -0.889 . . . . 65.22 114.93 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.815 ' H ' ' H ' ' A' ' 26' ' ' ARG . 16.2 mt-10 -50.91 158.6 1.12 Allowed Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 124.497 1.119 . . . . 70.12 113.07 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 24' ' ' THR . 32.8 Cg_endo -70.11 150.71 66.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.347 2.031 . . . . 72.51 115.286 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.73 ' HA ' ' H ' ' A' ' 24' ' ' THR . 9.4 p -102.25 109.35 21.0 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 113.85 -1.523 . . . . 74.13 108.731 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.658 ' N ' ' HA ' ' A' ' 23' ' ' MET . 3.8 mm? -66.32 111.09 3.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.914 -0.585 . . . . 74.54 112.137 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.46 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 65.6 mtt -18.6 129.24 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.306 1.443 . . . . 54.23 114.765 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.418 ' HA2' ' CD2' ' A' ' 21' ' ' TYR . . . -148.95 -132.64 2.14 Favored Glycine 0 C--N 1.34 0.777 0 CA-C-N 115.445 -0.798 . . . . 64.12 112.688 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.16 26.6 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.525 -0.369 . . . . 74.41 112.763 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.409 ' OE2' ' HB3' ' A' ' 45' ' ' HIS . 41.5 mt-10 -131.35 156.84 44.82 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.518 0.327 . . . . 65.14 111.252 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -127.33 -43.01 1.64 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.21 -0.45 . . . . 72.24 111.676 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.8 5.4 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 121.137 -0.554 . . . . 61.51 113.224 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.46 100.05 2.69 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.183 0.593 . . . . 72.42 109.88 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.7 -17.76 37.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.244 -0.889 . . . . 62.44 112.745 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.4 -11.58 1.97 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 114.393 1.257 . . . . 61.45 114.393 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.61 -2.76 30.76 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.906 0.706 . . . . 75.34 112.906 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -90.64 11.03 23.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 111.878 0.325 . . . . 72.2 111.878 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.8 -34.49 11.87 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.061 0.393 . . . . 75.13 112.061 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.822 HD13 ' H ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -87.68 157.6 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.496 0.554 . . . . 42.53 112.496 -178.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 73' ' ' GLY . 22.8 p -134.67 161.29 35.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.448 -0.797 . . . . 74.35 110.787 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -122.09 -58.89 1.7 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.611 -0.268 . . . . 72.22 111.376 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.95 148.23 38.99 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.184 0.303 . . . . 63.32 111.07 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -91.91 125.2 36.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.944 -0.571 . . . . 74.13 111.103 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.503 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 4.5 p30 -134.55 161.83 33.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.588 -0.733 . . . . 73.5 110.778 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.8 p -85.58 115.35 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.275 -0.421 . . . . 73.42 111.559 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -135.76 157.05 47.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.621 -0.718 . . . . 53.12 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 N--CA 1.466 0.348 0 CA-C-N 116.05 -0.523 . . . . 72.15 111.017 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 111.8 0.296 . . . . 75.44 111.8 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.576 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.5 t -60.65 135.01 57.64 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.603 0.594 . . . . 74.54 112.603 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.17 82.57 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.838 -1.074 . . . . 62.14 113.015 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 m -89.38 -52.6 4.96 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.211 0.319 . . . . 73.32 111.773 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 2.6 p -102.94 155.54 18.29 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.093 0.245 . . . . 65.02 110.534 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.79 53.17 2.33 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.333 0.587 . . . . 63.35 110.878 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -120.93 135.19 55.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.5 -0.773 . . . . 72.21 109.783 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -65.16 135.98 56.13 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.828 -0.624 . . . . 73.24 112.536 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.476 HG23 ' CB ' ' A' ' 22' ' ' GLU . 57.6 mt -87.37 125.07 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.48 -0.782 . . . . 73.32 109.248 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 77.8 mtp180 -112.15 -174.63 2.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.179 0.436 . . . . 73.25 112.179 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.27 63.88 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.075 0.768 . . . . 73.32 113.075 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -77.78 0.24 24.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 122.965 0.506 . . . . 62.12 110.476 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.642 ' OE2' ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -96.34 109.94 22.36 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.926 0.87 . . . . 64.3 112.453 -178.021 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.7 mtm -106.6 88.39 2.75 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.597 -1.638 . . . . 73.45 107.85 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -104.13 163.92 12.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.57 -1.196 . . . . 74.24 113.047 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 88' ' ' VAL . 13.9 ptm -107.09 172.23 6.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.642 -1.163 . . . . 73.33 109.911 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -89.2 108.64 19.73 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.667 0.27 . . . . 74.14 110.36 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.59 175.72 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.96 -0.564 . . . . 61.35 110.013 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.588 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.7 mttt -54.16 -67.29 0.27 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.279 0.844 . . . . 71.52 113.279 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.56 -42.34 2.54 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.169 0.433 . . . . 64.13 112.169 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.7 mttt -118.51 146.17 44.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.043 0.386 . . . . 74.21 112.043 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -101.65 147.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.626 -0.715 . . . . 70.13 109.276 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -127.0 162.09 26.83 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.302 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.643 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.7 m80 -65.13 154.77 36.98 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.879 0.472 . . . . 71.24 111.226 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.87 -44.07 90.9 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.805 -0.443 . . . . 74.42 109.805 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 41.1 mt-10 -66.17 -33.91 76.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.636 -0.711 . . . . 72.11 111.327 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.4 m -80.99 0.59 34.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.075 -0.511 . . . . 50.41 111.779 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -90.46 57.62 3.72 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.425 0.631 . . . . 74.33 110.409 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.492 ' HD3' ' CE1' ' A' ' 45' ' ' HIS . 9.7 mtmp? -120.07 164.52 16.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.292 -0.867 . . . . 61.52 111.244 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.5 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.088 0.555 . . . . 74.45 111.86 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.05 -10.93 48.7 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.93 0.715 . . . . 44.53 112.93 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -110.4 -50.26 2.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.349 0.5 . . . . 62.42 112.349 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.2 p -103.46 -6.56 21.71 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.2 mp0 63.74 14.95 8.63 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.06 0.944 . . . . 74.42 113.19 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.638 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 57.5 tttt -65.68 163.25 16.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.47 0.308 . . . . 63.34 111.411 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.492 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 56.8 m-70 -95.19 154.66 17.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.047 -0.524 . . . . 71.44 111.139 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -112.91 137.82 50.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.736 -0.665 . . . . 74.55 110.967 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 t -120.64 162.44 19.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.309 -0.859 . . . . 65.21 110.848 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.58 141.6 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.086 -0.506 . . . . 73.4 112.17 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.76 6.07 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.669 0.605 . . . . 64.22 113.112 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.7 150.65 20.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.63 0.253 . . . . 71.24 110.9 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -87.51 143.38 27.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.798 -0.637 . . . . 74.23 111.236 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -128.17 156.46 42.86 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.526 0.516 . . . . 65.34 111.343 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 tt -117.32 126.96 53.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.663 -0.699 . . . . 63.11 109.768 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.11 109.23 20.48 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.898 -0.592 . . . . 55.3 110.471 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.06 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 115.673 -0.694 . . . . 70.24 110.945 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' H ' HG13 ' A' ' 55' ' ' ILE . 11.5 m120 -47.96 -35.82 11.43 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.788 1.033 . . . . 75.13 113.788 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.503 ' H ' HG23 ' A' ' 55' ' ' ILE . 18.5 t -106.38 -73.89 0.67 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.846 0.313 . . . . 70.43 111.846 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.597 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.49 -163.37 1.01 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.308 0.243 . . . . 75.52 111.345 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -91.06 140.36 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 122.651 0.38 . . . . 73.24 110.412 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 68' ' ' TRP . 46.5 t -120.47 120.63 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 72.23 110.093 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -65.19 159.92 22.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.98 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.553 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -64.26 -18.32 64.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.795 -0.638 . . . . 74.23 112.592 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -66.04 -50.71 63.21 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.083 0.401 . . . . 75.13 112.083 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.406 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.1 p30 -110.85 15.18 21.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.864 0.69 . . . . 42.3 112.864 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -56.09 -51.45 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.244 0.618 . . . . 73.54 112.6 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -59.17 -52.71 64.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.117 0.567 . . . . 70.12 112.485 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 71' ' ' ILE . 41.7 mt-10 -62.59 -43.52 98.61 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.584 0.587 . . . . 63.44 112.584 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.476 ' HE1' HG12 ' A' ' 55' ' ' ILE . 55.2 t-105 -65.17 -42.19 93.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.752 0.421 . . . . 73.13 111.835 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 p -67.07 -28.88 68.56 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.096 0.558 . . . . 70.34 111.295 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.85 -43.63 98.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.199 -0.91 . . . . 73.44 112.086 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.0 mp -84.79 -47.37 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 123.364 0.415 . . . . 74.41 111.596 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -69.67 -29.84 67.38 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.961 0.726 . . . . 73.23 112.961 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.623 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.776 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.564 0.221 . . . . 73.24 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 t -112.45 143.36 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 115.892 -0.594 . . . . 64.22 109.975 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.3 mmt -120.08 148.65 43.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.914 -0.584 . . . . 73.44 110.978 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.87 149.67 5.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.831 -0.622 . . . . 61.23 110.63 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.501 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 4.4 t -65.29 109.99 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 116.198 -0.455 . . . . 74.03 110.713 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' H ' ' CE ' ' A' ' 25' ' ' MET . . . -66.25 146.64 49.18 Favored Glycine 0 C--N 1.342 0.912 0 CA-C-N 115.557 -0.747 . . . . 65.22 113.946 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.92 111.6 6.85 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 122.96 0.504 . . . . 70.12 111.776 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -62.79 155.42 59.74 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 122.749 2.299 . . . . 72.51 113.105 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.5 p -120.09 111.29 17.68 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 74.13 111.251 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.15 118.39 9.82 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.78 -0.645 . . . . 74.54 111.806 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 90.7 mtp 40.76 105.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.751 1.22 . . . . 54.23 113.762 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.95 -172.67 29.82 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.671 -0.695 . . . . 64.12 112.926 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -153.08 147.26 16.58 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 112.239 -0.344 . . . . 74.41 112.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -98.17 137.66 36.61 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.64 0.259 . . . . 65.14 110.943 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.71 -42.45 7.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.816 -0.629 . . . . 72.24 111.269 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.57 153.48 24.57 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.414 0.446 . . . . 61.51 112.671 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.6 m-20 -143.21 93.97 2.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.286 0.565 . . . . 72.42 110.062 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -82.11 -18.91 41.29 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.266 -0.879 . . . . 62.44 112.355 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 -22.59 30.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.315 0.487 . . . . 61.45 112.315 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.18 -36.54 17.97 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.004 0.372 . . . . 75.34 112.004 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 16.7 ptm180 -84.09 -9.18 58.81 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.43 0.53 . . . . 72.2 112.43 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.8 tt -93.87 -47.21 6.85 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.196 0.31 . . . . 75.13 110.756 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.61 167.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 125.135 1.374 . . . . 42.53 114.361 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -142.35 123.84 14.88 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.721 -0.672 . . . . 74.35 110.848 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.21 147.08 27.48 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.935 -0.575 . . . . 72.22 110.931 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.56 154.54 18.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.795 -0.639 . . . . 63.32 110.887 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.28 130.45 39.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.01 -0.541 . . . . 74.13 111.086 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.99 152.79 19.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.82 -0.627 . . . . 73.5 111.227 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -97.53 146.17 25.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.928 -0.578 . . . . 73.42 111.145 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -127.37 143.81 51.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.884 -0.598 . . . . 53.12 110.953 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 C--O 1.235 0.326 0 CA-C-N 115.881 -0.6 . . . . 72.15 110.889 179.925 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 111.236 0.088 . . . . 75.44 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.4 t -76.77 135.64 38.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.938 0.399 . . . . 74.54 111.436 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -65.75 -33.66 76.37 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.093 -0.958 . . . . 62.14 113.114 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 m -92.95 -49.66 5.93 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.254 0.347 . . . . 73.32 111.905 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.6 p -106.98 157.98 17.38 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.095 0.247 . . . . 65.02 110.736 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -91.71 52.29 2.01 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.548 0.689 . . . . 63.35 110.486 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -120.18 131.89 55.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.209 -0.905 . . . . 72.21 109.944 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.16 130.95 45.21 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.775 -0.648 . . . . 73.24 111.954 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 22' ' ' GLU . 17.2 mt -79.27 98.56 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.687 -0.688 . . . . 73.32 109.263 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.522 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.2 tmt_? -147.78 159.89 43.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.518 -0.765 . . . . 73.25 112.056 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.44 -75.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.985 1.314 . . . . 73.32 114.252 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.479 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.5 t80 -72.92 -58.83 3.04 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.513 0.325 . . . . 62.12 111.221 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.547 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 32.61 -87.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.872 1.269 . . . . 64.3 114.291 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 68.0 mtt 45.55 76.69 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.058 0.943 . . . . 73.45 112.061 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.2 p -141.95 161.59 37.59 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.211 -0.904 . . . . 74.24 111.855 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.77 168.44 10.32 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 73.33 110.459 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -87.89 119.49 28.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.753 0.311 . . . . 74.14 110.935 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.682 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -93.38 -179.25 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.728 -0.669 . . . . 61.35 109.783 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.682 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.8 mttt -49.63 -67.75 0.24 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.708 1.003 . . . . 71.52 113.708 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.48 -43.16 2.51 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 111.978 0.362 . . . . 64.13 111.978 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.8 mttt -112.37 151.38 29.85 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.235 0.334 . . . . 74.21 111.543 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.8 t -106.13 146.4 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.881 -0.6 . . . . 70.13 109.917 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -128.53 150.25 50.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.979 -0.555 . . . . 73.03 111.104 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.692 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 13.3 m80 -65.52 159.23 24.98 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.405 0.441 . . . . 71.24 110.349 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.12 -44.82 87.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.6 0.238 . . . . 74.42 110.607 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.49 -33.32 75.42 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.831 -0.622 . . . . 72.11 111.392 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 28.0 m -82.32 -0.86 47.65 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.787 -0.642 . . . . 50.41 111.943 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -91.0 64.07 5.3 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.48 0.657 . . . . 74.33 110.082 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -120.7 163.63 17.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.195 -0.911 . . . . 61.52 111.862 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 43.0 t -66.13 147.3 53.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.389 0.676 . . . . 74.45 111.954 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.9 -7.01 50.4 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.8 -0.636 . . . . 44.53 112.122 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.3 -50.26 3.19 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.169 0.433 . . . . 62.42 112.169 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.5 p -109.56 -4.47 16.22 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.004 0.372 . . . . 72.25 112.004 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.93 11.77 7.29 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.075 0.95 . . . . 74.42 113.111 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.7 tttt -65.83 163.4 16.89 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.617 0.367 . . . . 63.34 111.385 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -97.8 151.44 20.19 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.076 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.24 154.14 19.31 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.655 -0.702 . . . . 74.55 110.968 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -120.61 155.68 33.24 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.594 -0.73 . . . . 65.21 111.261 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.77 128.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 115.937 -0.574 . . . . 73.4 112.279 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.92 -16.12 36.59 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 123.548 0.53 . . . . 64.22 113.494 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.55 151.76 19.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.764 0.282 . . . . 71.24 111.316 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.04 136.94 32.74 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.845 -0.616 . . . . 74.23 111.043 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -129.92 158.59 39.12 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.505 0.503 . . . . 65.34 111.415 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.43 126.45 54.99 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.701 -0.681 . . . . 63.11 109.624 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -93.59 110.14 21.74 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.882 -0.599 . . . . 55.3 110.306 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -91.87 175.9 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.696 -0.684 . . . . 70.24 110.898 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.417 ' H ' HG13 ' A' ' 55' ' ' ILE . 11.2 m120 -48.04 -36.32 12.71 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.713 1.005 . . . . 75.13 113.713 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.525 ' H ' HG23 ' A' ' 55' ' ' ILE . 50.5 m -105.5 -75.54 0.62 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.187 0.44 . . . . 70.43 112.187 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.625 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.43 -167.16 1.41 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.698 0.259 . . . . 75.52 111.698 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -92.68 143.67 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.693 0.397 . . . . 73.24 110.471 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.6 t -120.24 127.8 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.661 0.601 . . . . 72.23 109.852 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 p -65.19 157.32 29.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.938 -0.574 . . . . 72.41 112.293 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.643 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.6 -23.33 58.53 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.908 -0.587 . . . . 74.23 111.997 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -41.8 85.66 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.578 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -109.0 4.16 22.91 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.49 0.552 . . . . 42.3 112.49 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.56 -51.48 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 113.072 0.767 . . . . 73.54 113.072 -178.286 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.53 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.6 t80 -63.75 -51.68 63.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.998 0.519 . . . . 70.12 112.372 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.587 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.15 -39.48 93.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.716 0.636 . . . . 63.44 112.716 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.442 ' CD1' HG21 ' A' ' 60' ' ' VAL . 57.9 t-105 -65.4 -50.31 65.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.39 0.276 . . . . 73.13 111.348 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -64.13 -29.02 70.17 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.083 0.468 . . . . 70.34 110.949 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 52.7 tttt -65.09 -42.52 93.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.892 -1.049 . . . . 73.44 111.942 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.0 mm -84.51 -46.57 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 115.851 -0.613 . . . . 74.41 111.758 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -76.21 -29.97 57.81 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.724 0.638 . . . . 73.23 112.724 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.612 0 C-N-CA 121.373 -0.441 . . . . 72.21 112.558 179.885 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.508 0.194 . . . . 73.24 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -119.3 135.2 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 115.923 -0.58 . . . . 64.22 110.019 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.2 mmt -120.24 153.15 36.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.684 -0.689 . . . . 73.44 110.971 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 p -95.93 147.3 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.742 -0.663 . . . . 61.23 110.647 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.38 110.24 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 116.107 -0.497 . . . . 74.03 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 146.11 48.33 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.642 -0.708 . . . . 65.22 113.488 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.89 141.67 97.73 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-O 119.14 -0.457 . . . . 70.12 111.493 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.83 135.91 16.27 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.387 2.058 . . . . 72.51 112.697 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 95' ' ' GLY . 19.0 p -120.13 119.57 33.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.913 -0.585 . . . . 74.13 111.085 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -65.85 126.34 28.18 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.93 -0.577 . . . . 74.54 112.219 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 65.7 mtt 40.98 36.0 0.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.614 1.166 . . . . 54.23 113.558 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.462 ' O ' ' HB ' ' A' ' 92' ' ' THR . . . 97.79 -85.42 0.76 Allowed Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.021 -0.536 . . . . 64.12 112.584 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.06 -109.25 3.53 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.446 -0.407 . . . . 74.41 112.572 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HB3' ' OD1' ' A' ' 100' ' ' ASP . 44.7 mt-10 -102.0 138.85 38.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.313 0.245 . . . . 65.14 110.773 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.13 -43.09 1.33 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.972 -0.558 . . . . 72.24 111.334 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.7 63.5 0.67 Allowed Glycine 0 C--N 1.34 0.779 0 O-C-N 123.387 0.43 . . . . 61.51 112.588 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 7.5 m-20 -130.86 11.48 5.16 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.744 0.307 . . . . 72.42 111.495 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.11 -28.51 21.24 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.13 -0.486 . . . . 62.44 111.979 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.61 -15.87 44.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.124 0.416 . . . . 61.45 112.124 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.9 -36.98 18.09 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.292 0.37 . . . . 75.34 111.718 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.4 ptm180 -87.8 -0.79 57.41 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.093 0.405 . . . . 72.2 112.093 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -92.27 -40.15 11.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.473 -0.331 . . . . 75.13 111.236 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.433 ' H ' HG13 ' A' ' 106' ' ' ILE . 2.2 pp -96.64 135.09 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.35 -0.386 . . . . 42.53 111.43 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -139.43 148.76 43.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.88 -0.6 . . . . 74.35 111.14 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -101.79 133.2 46.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.9 -0.591 . . . . 72.22 110.86 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -129.0 148.02 50.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.854 -0.612 . . . . 63.32 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.78 145.45 28.5 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.856 -0.611 . . . . 74.13 110.861 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -110.47 -42.59 4.06 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.621 0.576 . . . . 73.5 111.279 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 p -99.29 137.5 37.7 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.364 0.415 . . . . 73.42 111.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -128.29 142.21 51.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.859 -0.61 . . . . 53.12 110.802 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.465 0.318 0 CA-C-N 115.861 -0.609 . . . . 72.15 111.358 -179.91 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 110.269 -0.271 . . . . 75.44 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 41.9 t -77.68 136.14 38.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.176 0.512 . . . . 74.54 112.064 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.07 -37.02 84.76 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.795 -1.093 . . . . 62.14 112.934 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 p -89.01 -52.18 5.21 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.316 0.385 . . . . 73.32 111.951 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.586 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.8 p -105.7 158.57 16.62 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.25 0.344 . . . . 65.02 110.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.7 49.52 1.68 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.396 0.617 . . . . 63.35 110.683 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -120.63 131.9 54.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.287 -0.87 . . . . 72.21 110.053 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -65.78 136.36 56.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.834 -0.621 . . . . 73.24 112.247 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.3 mt -72.42 142.36 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.686 -0.688 . . . . 73.32 109.87 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -128.37 -178.01 4.39 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.902 0.334 . . . . 73.25 111.902 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB2' ' HE2' ' A' ' 94' ' ' MET . . . -67.79 -26.29 66.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.183 0.593 . . . . 73.32 112.477 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -74.58 -30.94 61.9 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.416 0.447 . . . . 62.12 110.712 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.725 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.5 mm-40 -72.59 -45.76 57.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.756 -0.656 . . . . 64.3 112.555 -177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.53 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 64.7 mtt 46.43 88.04 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.351 0.596 . . . . 73.45 110.659 -179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.5 p -104.34 157.43 17.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 74.24 111.876 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.555 ' SD ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -104.51 167.9 9.43 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.511 -0.768 . . . . 73.33 110.849 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -82.44 115.57 21.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.866 0.365 . . . . 74.14 111.195 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.0 t -99.51 -179.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 115.511 -0.768 . . . . 61.35 109.767 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.66 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.8 mttt -49.86 -66.45 0.39 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.616 0.969 . . . . 71.52 113.616 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.3 -46.19 2.41 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.922 0.342 . . . . 64.13 111.922 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 35.5 mtmt -118.02 153.3 33.92 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.378 0.424 . . . . 74.21 111.467 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.92 146.44 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.938 -0.573 . . . . 70.13 110.008 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -124.49 145.63 49.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.02 -0.536 . . . . 73.03 111.534 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.634 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 10.6 m80 -65.78 159.21 25.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.028 0.531 . . . . 71.24 110.911 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.5 pp -65.07 -47.65 76.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.45 0.167 . . . . 74.42 110.635 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.82 -28.96 69.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.995 -0.548 . . . . 72.11 111.686 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 15.5 m -89.12 -6.28 57.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.03 -0.532 . . . . 50.41 111.814 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -89.6 55.63 3.28 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.464 0.649 . . . . 74.33 110.248 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.97 161.89 20.83 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.277 -0.874 . . . . 61.52 111.701 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 32.5 t -66.12 147.03 53.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.712 -0.677 . . . . 74.45 111.815 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.77 -6.87 35.2 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.049 -0.523 . . . . 44.53 111.933 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.12 -47.68 4.66 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 111.89 0.33 . . . . 62.42 111.89 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.4 p -113.28 -3.33 13.85 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.867 0.321 . . . . 72.25 111.867 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.548 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 65.18 12.43 8.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.101 0.961 . . . . 74.42 113.102 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.609 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.5 tttm -65.96 163.08 17.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.633 0.373 . . . . 63.34 111.409 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -102.05 152.96 20.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -105.95 141.55 37.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.718 -0.674 . . . . 74.55 111.191 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 p -120.65 161.42 21.41 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.344 -0.844 . . . . 65.21 111.115 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.61 136.04 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 112.295 0.48 . . . . 73.4 112.295 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -27.05 15.43 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.908 -0.587 . . . . 64.22 113.326 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.89 149.54 21.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.627 0.251 . . . . 71.24 111.283 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -83.04 138.7 33.63 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.78 -0.645 . . . . 74.23 111.282 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -128.94 154.06 46.93 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.545 0.528 . . . . 65.34 111.42 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 128.68 56.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.709 -0.678 . . . . 63.11 109.7 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.73 112.25 24.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.894 -0.594 . . . . 55.3 110.459 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -90.99 176.18 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.704 -0.68 . . . . 70.24 110.81 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -47.91 -34.16 8.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.953 1.094 . . . . 75.13 113.953 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.476 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.5 t -120.01 -58.76 1.85 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.826 0.676 . . . . 70.43 112.826 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.21 -163.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.197 0.443 . . . . 75.52 112.197 -178.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -106.73 140.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 122.813 0.445 . . . . 73.24 110.144 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.542 HG21 ' CD1' ' A' ' 68' ' ' TRP . 12.0 t -120.6 127.41 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.901 -0.591 . . . . 72.23 110.181 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 p -65.26 159.3 24.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.883 -0.598 . . . . 72.41 112.162 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.3 mt-10 -62.09 -21.21 64.79 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.011 -0.54 . . . . 74.23 111.8 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -67.16 -40.96 86.74 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.282 -0.417 . . . . 75.13 111.599 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -110.38 6.18 22.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.709 0.633 . . . . 42.3 112.709 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.54 -54.35 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.254 0.835 . . . . 73.54 113.254 -178.465 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.558 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 52.7 t80 -58.57 -53.74 54.98 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.683 0.623 . . . . 70.12 112.683 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.591 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.2 mt-10 -65.07 -39.79 93.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.927 0.714 . . . . 63.44 112.927 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.542 ' CD1' HG21 ' A' ' 60' ' ' VAL . 55.4 t-105 -65.55 -54.52 26.79 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.63 0.372 . . . . 73.13 111.784 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.5 p -61.52 -29.57 70.08 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.091 0.472 . . . . 70.34 111.529 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 34.4 tttp -65.52 -38.7 90.44 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.186 -0.915 . . . . 73.44 112.633 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 67' ' ' GLU . 15.0 mm -84.51 -47.66 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.05 0.759 . . . . 74.41 113.05 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -94.85 -29.99 14.43 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.325 0.861 . . . . 73.23 113.325 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.662 0 C-N-CA 121.065 -0.588 . . . . 72.21 112.84 -179.659 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.513 0.197 . . . . 73.24 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.05 131.98 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.981 -0.554 . . . . 64.22 110.13 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -120.2 157.51 28.92 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.654 -0.703 . . . . 73.44 111.184 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.14 152.1 3.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.83 -0.623 . . . . 61.23 110.386 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.19 110.06 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 120.955 0.407 . . . . 74.03 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 25' ' ' MET . . . -66.39 154.19 51.94 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.406 -0.815 . . . . 65.22 113.916 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 12.8 tt0 -66.3 138.79 96.04 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 118.947 -0.549 . . . . 70.12 110.914 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.53 ' HB3' ' O ' ' A' ' 23' ' ' MET . 3.8 Cg_exo -77.19 149.29 28.07 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.257 1.971 . . . . 72.51 112.809 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 t -120.36 128.25 53.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.359 0.599 . . . . 74.13 111.508 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.1 109.84 2.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.424 -1.262 . . . . 74.54 111.587 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.506 ' HE2' ' HB2' ' A' ' 20' ' ' ALA . 16.2 mmt 40.79 105.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.668 1.187 . . . . 54.23 113.848 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.06 -162.64 13.08 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.593 -0.731 . . . . 64.12 112.791 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.73 -129.78 6.8 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 121.49 -0.386 . . . . 74.41 112.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG2' ' OE2' ' A' ' 101' ' ' GLU . 41.2 mt-10 -97.92 140.15 32.7 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 122.283 0.233 . . . . 65.14 111.058 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -98.42 -41.75 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.869 -0.605 . . . . 72.24 111.16 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.2 -121.25 4.27 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 123.491 0.494 . . . . 61.51 112.468 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.495 ' OD1' ' HB2' ' A' ' 103' ' ' GLU . 3.1 t70 -147.55 97.06 2.78 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.247 0.546 . . . . 72.42 110.074 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.4 mp0 -82.75 -18.94 38.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.287 -0.869 . . . . 62.44 112.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.46 -19.62 33.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.099 0.407 . . . . 61.45 112.099 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.495 ' HB2' ' OD1' ' A' ' 100' ' ' ASP . 2.9 tp10 -87.23 -39.61 15.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.5 -0.318 . . . . 75.34 111.44 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 37.6 ptt180 -87.36 8.1 25.96 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.441 0.463 . . . . 72.2 112.141 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 4.8 tp -92.66 -42.47 9.61 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.32 -0.4 . . . . 75.13 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.87 173.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 125.001 1.32 . . . . 42.53 114.057 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.7 p -111.96 147.86 34.99 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.934 -0.576 . . . . 74.35 111.107 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -104.92 148.63 26.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.908 -0.587 . . . . 72.22 110.671 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.08 146.57 26.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.843 -0.617 . . . . 63.32 110.94 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 149.86 33.14 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.876 -0.602 . . . . 74.13 110.929 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -99.21 144.92 27.78 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.863 -0.608 . . . . 73.5 110.823 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -111.66 147.01 36.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.863 -0.608 . . . . 73.42 111.1 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.79 144.84 44.98 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 53.12 110.517 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 . . . . . 0 C--O 1.234 0.286 0 CA-C-N 115.951 -0.568 . . . . 72.15 110.991 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.553 0.216 . . . . 75.44 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.2 t -84.95 144.63 28.21 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.002 -0.545 . . . . 74.54 111.029 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -37.37 86.13 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.433 0.901 . . . . 62.14 113.433 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -95.67 -53.75 3.61 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.032 0.382 . . . . 73.32 112.032 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 5.2 p -101.06 162.86 12.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.57 0.224 . . . . 65.02 111.205 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.13 49.03 1.37 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.356 0.598 . . . . 63.35 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.619 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 57.3 mttm -113.25 133.63 55.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.486 -0.779 . . . . 72.21 111.11 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -65.64 136.64 56.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.948 -0.569 . . . . 73.24 111.064 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.619 HG23 ' HB3' ' A' ' 22' ' ' GLU . 64.5 mt -84.92 115.62 27.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.101 -0.5 . . . . 73.32 110.726 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.44 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 15.5 ttm180 -100.89 -174.48 2.63 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.227 -0.897 . . . . 73.25 110.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.44 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . -69.86 -5.87 28.71 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.949 0.722 . . . . 73.32 112.949 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -87.76 -13.87 41.2 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.996 0.518 . . . . 62.12 111.387 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.619 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -43.65 -48.72 7.79 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.446 1.276 . . . . 64.3 114.446 -178.22 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.598 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 65.2 mtt 42.45 47.16 4.29 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.878 0.846 . . . . 73.45 110.663 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' GLU . 41.0 p -104.72 169.75 8.27 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.603 -1.18 . . . . 74.24 112.237 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -111.48 150.86 29.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.346 -0.843 . . . . 73.33 109.689 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 115.26 14.65 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.339 -0.391 . . . . 74.14 111.408 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.706 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.4 t -88.76 -179.16 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 115.59 -0.732 . . . . 61.35 109.916 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.706 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.7 mttt -48.07 -67.06 0.31 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.789 1.033 . . . . 71.52 113.789 -178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.37 -42.69 2.54 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.355 0.502 . . . . 64.13 112.355 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.7 mttt -109.99 150.89 27.85 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.24 0.337 . . . . 74.21 111.55 -178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 t -104.84 137.6 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.768 -0.651 . . . . 70.13 109.632 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -118.89 151.79 37.47 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.939 -0.573 . . . . 73.03 111.323 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m80 -65.37 163.76 15.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.089 0.555 . . . . 71.24 110.964 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.2 pp -65.26 -47.44 76.7 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 110.089 -0.337 . . . . 74.42 110.089 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.67 -33.95 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.509 -0.769 . . . . 72.11 111.641 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 34.4 m -80.21 -0.4 36.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.744 -0.662 . . . . 50.41 112.252 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -92.25 55.58 2.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.613 0.721 . . . . 74.33 109.394 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -120.76 165.69 14.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.191 -0.913 . . . . 61.52 112.062 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.1 t -66.12 147.32 53.51 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.481 0.712 . . . . 74.45 112.069 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.77 -8.62 43.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.825 -0.625 . . . . 44.53 112.212 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.13 -50.66 3.31 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 62.42 112.11 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.2 p -107.43 -4.76 18.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.938 0.348 . . . . 72.25 111.938 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 mp0 64.61 12.07 7.21 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.012 0.925 . . . . 74.42 113.1 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.9 tttt -65.87 162.44 19.0 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.604 0.362 . . . . 63.34 111.236 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -99.83 148.71 24.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.109 -0.496 . . . . 71.44 111.186 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -99.89 152.97 19.54 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.558 -0.746 . . . . 74.55 110.739 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -120.43 156.67 30.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.705 -0.679 . . . . 65.21 111.352 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.62 122.57 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 115.924 -0.58 . . . . 73.4 112.08 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.93 6.49 32.29 Favored Glycine 0 C--N 1.337 0.59 0 O-C-N 123.603 0.564 . . . . 64.22 113.43 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.9 153.22 28.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.76 0.28 . . . . 71.24 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -85.31 128.73 34.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.841 -0.618 . . . . 74.23 111.208 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -126.33 155.64 41.7 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.458 0.474 . . . . 65.34 111.419 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.39 128.73 56.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.693 -0.685 . . . . 63.11 109.899 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.83 106.91 18.86 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.965 -0.561 . . . . 55.3 110.213 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.31 175.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.648 -0.705 . . . . 70.24 110.94 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' H ' HG13 ' A' ' 55' ' ' ILE . 11.3 m120 -48.0 -35.79 11.57 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.819 1.044 . . . . 75.13 113.819 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.517 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.7 p -108.44 -72.94 0.7 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.39 0.515 . . . . 70.43 112.39 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.0 m-20 -120.42 -164.68 1.12 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 111.638 0.236 . . . . 75.52 111.638 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -94.24 140.35 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 122.73 0.412 . . . . 73.24 110.398 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.6 t -120.49 127.17 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.88 -0.6 . . . . 72.23 109.961 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.21 158.75 25.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.14 0.576 . . . . 72.41 112.27 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.662 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.8 tt0 -61.92 -21.55 64.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.9 -0.591 . . . . 74.23 111.654 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.02 -40.55 87.28 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.619 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.32 5.86 21.96 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.654 0.613 . . . . 42.3 112.654 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -56.37 -54.37 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.034 0.753 . . . . 73.54 113.034 -178.541 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.64 -52.31 66.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.078 0.551 . . . . 70.12 112.476 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -64.81 -44.21 90.61 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.607 0.595 . . . . 63.44 112.607 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.48 ' HE1' HG12 ' A' ' 55' ' ' ILE . 49.6 t-105 -65.18 -42.64 93.43 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.14 0.422 . . . . 73.13 112.14 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.0 p -67.07 -29.04 68.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.978 0.418 . . . . 70.34 111.228 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -58.56 -46.04 87.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.139 -0.937 . . . . 73.44 111.603 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.2 mp -85.07 -47.33 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.492 0.495 . . . . 74.41 111.182 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -77.77 5.28 9.78 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.703 -0.681 . . . . 73.23 112.821 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.749 0 C-N-CA 121.437 -0.411 . . . . 72.21 112.398 179.814 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.481 0.181 . . . . 73.24 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.3 p -100.16 130.13 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.923 -0.58 . . . . 64.22 110.81 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.4 mtt -120.4 157.63 28.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.612 -0.722 . . . . 73.44 111.035 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.55 142.61 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.981 -0.554 . . . . 61.23 110.287 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.69 109.14 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.332 0.395 . . . . 74.03 110.953 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.56 164.74 45.02 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.601 -0.727 . . . . 65.22 113.426 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.3 157.85 80.04 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 119.118 -0.468 . . . . 70.12 111.799 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.598 ' HB3' ' O ' ' A' ' 23' ' ' MET . 5.3 Cg_exo -79.62 135.37 11.57 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.459 2.106 . . . . 72.51 112.569 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -120.32 111.41 17.74 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.519 0.512 . . . . 74.13 111.446 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.08 126.45 28.66 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.743 -0.662 . . . . 74.54 111.618 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 mmt 40.91 -82.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.752 1.221 . . . . 54.23 113.687 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.54 87.53 0.13 Allowed Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.586 -0.34 . . . . 64.12 112.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.81 139.64 8.36 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.48 -0.39 . . . . 74.41 112.472 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.9 115.75 31.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.877 0.37 . . . . 65.14 110.952 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.544 ' HB3' ' OE1' ' A' ' 101' ' ' GLU . 95.4 m-85 -131.09 86.13 2.34 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.576 -0.738 . . . . 72.24 110.305 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.01 48.46 0.94 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.196 -0.911 . . . . 61.51 112.884 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.68 4.14 3.88 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.919 0.39 . . . . 72.42 111.509 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.544 ' OE1' ' HB3' ' A' ' 98' ' ' PHE . 1.7 mp0 -88.3 -29.22 20.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.743 -0.662 . . . . 62.44 111.866 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.5 -13.98 50.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.361 0.504 . . . . 61.45 112.361 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -82.65 -36.8 25.7 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.556 0.342 . . . . 75.34 111.909 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -93.52 -9.75 37.26 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.317 0.385 . . . . 72.2 111.968 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.455 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.2 tt -93.93 -15.27 25.12 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.185 0.303 . . . . 75.13 111.713 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.411 ' H ' HG13 ' A' ' 106' ' ' ILE . 1.6 pp -85.45 113.64 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 111.882 0.327 . . . . 42.53 111.882 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -144.82 151.67 39.13 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.631 -0.713 . . . . 74.35 110.838 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -109.19 114.66 28.57 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.087 -0.506 . . . . 72.22 110.764 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.17 149.61 48.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.689 -0.687 . . . . 63.32 110.798 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.56 125.49 51.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.939 -0.573 . . . . 74.13 110.686 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.52 128.97 40.42 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.895 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -120.15 146.49 45.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.824 -0.625 . . . . 73.42 111.038 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -126.13 124.41 40.48 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.618 0.574 . . . . 53.12 110.86 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.466 0.335 0 CA-C-N 115.837 -0.619 . . . . 72.15 110.639 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.811 0.3 . . . . 75.44 111.811 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.597 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.0 t -63.19 133.7 54.74 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.793 0.664 . . . . 74.54 112.793 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.12 -33.53 75.98 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.747 -1.115 . . . . 62.14 112.6 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -90.37 -53.31 4.5 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.391 0.432 . . . . 73.32 111.618 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.1 p -102.66 153.7 19.86 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 123.155 0.285 . . . . 65.02 110.54 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -91.27 55.79 2.93 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.339 0.59 . . . . 63.35 110.953 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -120.81 136.99 54.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 72.21 110.308 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.49 122.89 18.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.044 -0.525 . . . . 73.24 111.609 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.548 HG12 ' NE2' ' A' ' 33' ' ' HIS . 65.0 mt -79.28 120.36 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 116.088 -0.505 . . . . 73.32 109.934 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -121.38 -174.26 2.81 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.576 -0.738 . . . . 73.25 111.168 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.44 -8.09 0.31 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.765 1.024 . . . . 73.32 113.765 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.435 ' HE2' ' OE1' ' A' ' 103' ' ' GLU . 58.0 t80 -75.66 -10.34 59.36 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.27 0.628 . . . . 62.12 111.35 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.39 156.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.91 0.862 . . . . 64.3 111.717 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.9 mtt -155.91 57.11 0.6 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.191 -1.822 . . . . 73.45 107.332 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.408 HG21 ' HA ' ' A' ' 33' ' ' HIS . 48.8 p -113.02 171.56 7.47 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.023 -1.444 . . . . 74.24 112.106 -176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.36 164.8 11.73 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.551 -0.749 . . . . 73.33 110.164 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -87.69 120.82 29.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.85 0.357 . . . . 74.14 111.331 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -93.31 -178.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.343 -0.844 . . . . 61.35 109.677 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.697 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -47.09 -66.91 0.33 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.83 1.048 . . . . 71.52 113.83 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.5 -44.95 2.44 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.26 0.467 . . . . 64.13 112.26 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -108.4 153.06 23.83 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 74.21 111.79 -178.673 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 149.69 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.684 -0.689 . . . . 70.13 109.75 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -129.51 148.44 51.41 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.04 -0.527 . . . . 73.03 111.078 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.661 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 12.2 m80 -65.56 160.46 22.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.876 0.47 . . . . 71.24 111.33 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.561 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -65.58 -46.75 78.2 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.221 0.326 . . . . 74.42 110.297 178.32 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.53 -32.14 73.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.529 -0.759 . . . . 72.11 111.558 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -84.91 -1.02 56.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 50.41 112.052 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -90.74 60.16 4.4 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.521 0.676 . . . . 74.33 110.304 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -120.46 163.24 18.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.234 -0.894 . . . . 61.52 111.637 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 27.4 t -66.13 147.5 53.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.044 -0.526 . . . . 74.45 112.056 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.6 -6.7 56.02 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 44.53 111.102 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.08 -41.14 3.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.787 -0.642 . . . . 62.42 111.64 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.4 m -105.43 -20.12 13.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.397 -0.365 . . . . 72.25 111.951 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.544 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 mp0 69.72 1.29 3.34 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.072 0.949 . . . . 74.42 111.974 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -66.36 164.95 15.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.304 0.642 . . . . 63.34 111.395 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -93.29 151.85 19.54 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.37 0.419 . . . . 71.44 111.039 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -98.33 151.11 20.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.663 -0.698 . . . . 74.55 111.112 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 t -120.54 156.25 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.397 -0.82 . . . . 65.21 110.961 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.73 136.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.965 -0.561 . . . . 73.4 111.639 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.91 -27.62 14.18 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.967 -0.56 . . . . 64.22 113.291 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.21 149.88 21.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.381 0.272 . . . . 71.24 111.289 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -85.02 141.21 30.46 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.941 -0.572 . . . . 74.23 111.226 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -128.5 156.16 43.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.046 -0.524 . . . . 65.34 111.421 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tp -113.87 131.02 56.42 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.705 -0.68 . . . . 63.11 109.7 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -94.92 107.0 19.02 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.936 -0.575 . . . . 55.3 110.182 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.81 175.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-N 115.734 -0.666 . . . . 70.24 110.962 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -48.03 -34.74 9.89 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.924 1.083 . . . . 75.13 113.924 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.3 m -120.18 -56.76 1.98 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.955 0.724 . . . . 70.43 112.955 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.27 -164.93 1.13 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.1 0.407 . . . . 75.52 112.1 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 2.5 mp -109.02 142.93 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 122.905 0.482 . . . . 73.24 109.864 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.545 HG21 ' CD1' ' A' ' 68' ' ' TRP . 3.7 t -120.13 127.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.538 0.524 . . . . 72.23 110.099 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.46 158.93 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.984 -0.553 . . . . 72.41 112.201 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.553 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -58.73 -18.1 28.64 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.268 0.84 . . . . 74.23 113.268 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -65.66 -51.8 56.61 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.239 0.459 . . . . 75.13 112.239 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.73 15.12 22.12 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.089 0.403 . . . . 42.3 112.089 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.5 -47.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.055 0.542 . . . . 73.54 112.412 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.13 -50.93 64.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 122.959 0.504 . . . . 70.12 111.907 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 71' ' ' ILE . 8.8 mm-40 -65.04 -43.44 92.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.545 ' CD1' HG21 ' A' ' 60' ' ' VAL . 48.0 t-105 -63.63 -42.41 98.16 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.667 0.387 . . . . 73.13 111.846 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -67.16 -29.2 68.83 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.886 0.474 . . . . 70.34 111.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -59.04 -45.79 89.86 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.175 -0.92 . . . . 73.44 111.737 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.3 mp -85.04 -47.33 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.046 -0.524 . . . . 74.41 111.214 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -78.22 5.19 10.81 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.857 0.688 . . . . 73.23 112.857 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.658 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.616 179.896 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.236 0.388 0 CA-C-O 120.56 0.219 . . . . 73.24 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.51 143.4 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 115.929 -0.578 . . . . 64.22 109.95 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.05 149.18 42.6 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.662 0.601 . . . . 73.44 111.103 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.39 152.12 3.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.72 -0.673 . . . . 61.23 110.696 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.33 110.42 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.24 -0.436 . . . . 74.03 110.461 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 153.53 51.65 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 115.621 -0.718 . . . . 65.22 113.864 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.93 113.26 11.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 122.92 0.488 . . . . 70.12 111.557 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.03 157.85 46.76 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.511 2.141 . . . . 72.51 113.035 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.4 p -107.4 115.04 29.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.988 -0.551 . . . . 74.13 111.062 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.94 150.63 48.32 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.755 -0.657 . . . . 74.54 111.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -65.86 -44.16 86.23 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.941 -0.572 . . . . 54.23 111.797 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.0 100.42 2.11 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.421 0.451 . . . . 64.12 112.61 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.68 -80.78 0.17 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.389 -0.434 . . . . 74.41 112.597 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.33 147.7 25.5 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.327 0.251 . . . . 65.14 110.96 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -99.93 -43.23 6.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.883 -0.599 . . . . 72.24 111.188 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.82 -174.09 29.29 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.459 0.475 . . . . 61.51 112.652 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.36 86.64 2.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.317 0.579 . . . . 72.42 110.689 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.27 -30.89 19.32 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.327 -0.852 . . . . 62.44 112.071 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.45 -16.54 42.2 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.383 0.512 . . . . 61.45 112.383 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' OE1' ' HE2' ' A' ' 21' ' ' TYR . 3.0 tp10 -84.84 -2.84 58.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.22 0.325 . . . . 75.34 111.768 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -88.42 -15.11 36.31 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.457 -0.338 . . . . 72.2 111.739 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.493 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.6 tt -93.93 -32.82 13.73 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 123.302 0.376 . . . . 75.13 111.052 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.9 pp 44.62 107.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 124.935 1.294 . . . . 42.53 113.991 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -109.29 153.29 24.08 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.556 -0.747 . . . . 74.35 110.938 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.38 -48.09 5.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.498 0.499 . . . . 72.22 111.546 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp 63.33 148.75 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.958 0.903 . . . . 63.32 112.154 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.28 113.53 26.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.835 -0.621 . . . . 74.13 110.78 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 150.99 48.1 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.788 -0.642 . . . . 73.5 110.644 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -101.47 137.76 39.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.817 -0.628 . . . . 73.42 110.952 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -128.91 132.97 47.73 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.972 -0.558 . . . . 53.12 110.993 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.465 0.317 0 CA-C-N 115.765 -0.652 . . . . 72.15 110.795 179.845 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 111.929 0.344 . . . . 75.44 111.929 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 35.5 t -78.23 116.43 18.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.004 -0.544 . . . . 74.54 111.961 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.24 63.91 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.055 1.131 . . . . 62.14 114.055 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.2 p -94.41 -53.9 3.74 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.929 0.715 . . . . 73.32 112.929 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 p -95.9 -1.88 48.4 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.366 0.506 . . . . 65.02 112.366 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.78 35.38 26.15 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.644 0.778 . . . . 63.35 112.021 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -117.44 152.27 35.37 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.913 -0.585 . . . . 72.21 110.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -65.3 130.77 44.54 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.706 -0.679 . . . . 73.24 112.278 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.505 ' HA ' ' NE2' ' A' ' 33' ' ' HIS . 16.8 mt -80.11 126.59 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.486 -0.779 . . . . 73.32 110.151 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -110.49 -177.39 3.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.79 -0.641 . . . . 73.25 111.868 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.55 66.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.701 0.63 . . . . 73.32 112.701 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.86 -32.22 73.61 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.893 0.477 . . . . 62.12 111.435 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.595 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.9 mm-40 -70.72 -18.59 62.79 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.297 0.851 . . . . 64.3 113.297 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.7 mtm 36.62 97.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.743 0.817 . . . . 73.45 111.853 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 32' ' ' TYR . 17.7 p -103.69 150.11 24.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 74.24 112.271 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -100.58 158.92 15.57 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.689 -1.142 . . . . 73.33 110.141 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.74 108.44 16.79 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.044 0.449 . . . . 74.14 110.201 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.9 t -100.27 171.34 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.343 -0.844 . . . . 61.35 109.692 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' H ' HG12 ' A' ' 27' ' ' VAL . 89.3 mttt -53.85 -62.72 1.47 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.588 0.958 . . . . 71.52 113.588 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.48 -42.77 2.53 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.941 0.719 . . . . 64.13 112.941 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 69.9 mttt -115.41 139.14 50.28 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.41 0.522 . . . . 74.21 112.41 -177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 t -100.85 147.15 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.833 -0.803 . . . . 70.13 108.833 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' ' 24' ' ' THR . 30.7 m-85 -134.32 151.49 51.27 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.478 0.548 . . . . 73.03 112.478 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.713 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 29.0 m80 -65.69 162.56 18.26 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.485 -0.779 . . . . 71.24 111.286 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 22' ' ' GLU . 4.1 pp -65.91 -47.46 74.67 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 117.65 0.204 . . . . 74.42 110.776 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' HD12 ' A' ' 34' ' ' LEU . 43.6 mt-10 -65.52 -23.33 66.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.097 -0.501 . . . . 72.11 111.645 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.713 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.1 m -91.3 -5.2 55.01 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.974 -0.557 . . . . 50.41 111.399 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -105.42 55.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.406 0.622 . . . . 74.33 110.072 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -120.82 159.18 25.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.41 -0.814 . . . . 61.52 111.733 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 48.6 t -66.13 147.26 53.61 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.871 -0.604 . . . . 74.45 112.037 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.02 -7.64 42.15 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.812 -0.631 . . . . 44.53 112.119 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.5 -50.63 3.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.092 0.404 . . . . 62.42 112.092 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.8 p -109.35 -4.25 16.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.92 10.39 6.15 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.133 0.973 . . . . 74.42 113.097 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.7 tttt -65.9 162.47 19.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.685 0.394 . . . . 63.34 111.392 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.82 152.89 18.25 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.998 -0.546 . . . . 71.44 110.954 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -100.56 145.45 28.32 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 74.55 111.196 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.8 m -120.79 162.3 20.01 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.09 -0.959 . . . . 65.21 111.384 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.74 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.096 0.559 . . . . 73.4 112.355 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.02 -31.92 8.08 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.989 -0.55 . . . . 64.22 113.407 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.68 150.36 20.73 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.661 0.267 . . . . 71.24 111.349 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.55 144.42 26.34 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.76 -0.654 . . . . 74.23 111.058 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.13 154.71 41.03 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.505 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -111.73 130.0 55.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.625 -0.716 . . . . 63.11 109.777 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -95.01 111.5 23.3 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.96 -0.563 . . . . 55.3 110.36 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.88 176.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.767 -0.651 . . . . 70.24 110.804 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -47.78 -34.62 8.76 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.851 1.056 . . . . 75.13 113.851 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 55' ' ' ILE . 55.9 p -120.12 -56.9 1.98 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.851 0.685 . . . . 70.43 112.851 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.608 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.8 m-20 -120.3 -163.5 1.01 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.102 0.408 . . . . 75.52 112.102 -178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -110.27 143.27 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 122.823 0.449 . . . . 73.24 109.941 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 7.8 t -120.35 130.13 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.103 -0.499 . . . . 72.23 110.162 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.0 p -65.47 158.02 27.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.98 -0.554 . . . . 72.41 112.338 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.2 mt-10 -60.04 -22.74 63.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.058 0.543 . . . . 74.23 111.802 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.08 -40.37 86.96 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.166 -0.47 . . . . 75.13 111.559 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -110.04 4.83 21.67 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.643 0.609 . . . . 42.3 112.643 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.54 -54.0 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 113.191 0.811 . . . . 73.54 113.191 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.8 t80 -59.77 -53.06 62.36 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.607 0.595 . . . . 70.12 112.607 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.593 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.3 mt-10 -65.23 -40.62 94.3 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.758 0.651 . . . . 63.44 112.758 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.0 t-105 -65.45 -50.56 64.93 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.448 0.299 . . . . 73.13 111.615 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.7 p -63.56 -29.15 70.45 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.112 0.482 . . . . 70.34 111.072 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.4 tttt -65.12 -43.05 93.22 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.991 -1.004 . . . . 73.44 111.776 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.0 mm -84.74 -47.06 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.822 -0.627 . . . . 74.41 111.879 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -77.31 -30.01 53.93 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.768 0.655 . . . . 73.23 112.768 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.577 0 C-N-CA 121.325 -0.464 . . . . 72.21 112.758 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.235 0.323 0 N-CA-C 110.515 -0.18 . . . . 73.24 110.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.37 148.6 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.887 -0.597 . . . . 64.22 110.022 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.09 143.08 48.33 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.677 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.6 t -99.69 136.86 29.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 123.49 0.494 . . . . 61.23 110.432 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.65 109.93 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 116.321 -0.4 . . . . 74.03 111.024 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.59 162.57 44.56 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 115.736 -0.665 . . . . 65.22 113.789 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.0 129.8 93.97 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.955 0.502 . . . . 70.12 112.063 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.47 141.55 31.72 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.354 2.036 . . . . 72.51 112.621 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 p -120.44 111.66 17.99 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.381 0.426 . . . . 74.13 111.447 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.08 116.51 7.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.959 -0.564 . . . . 74.54 111.793 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -66.21 -45.34 81.07 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.644 -0.707 . . . . 54.23 112.014 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.64 -95.47 0.16 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 116.135 -0.484 . . . . 64.12 112.381 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.89 105.94 0.86 Allowed Glycine 0 C--N 1.337 0.639 0 C-N-CA 121.376 -0.44 . . . . 74.41 112.597 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -133.59 154.38 50.92 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.412 0.285 . . . . 65.14 111.053 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.57 3.13 56.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.939 -0.573 . . . . 72.24 111.799 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.46 110.21 3.69 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 121.53 -0.366 . . . . 61.51 112.91 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -129.51 14.44 6.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.789 0.328 . . . . 72.42 111.394 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -87.87 -18.97 28.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.196 -0.456 . . . . 62.44 111.982 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.55 -18.85 34.36 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.168 0.432 . . . . 61.45 112.168 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.15 -23.87 26.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.059 0.392 . . . . 75.34 112.059 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -93.36 -14.34 26.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.32 -0.4 . . . . 72.2 111.625 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.18 -9.98 37.41 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.289 0.368 . . . . 75.13 111.755 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 mt 65.92 121.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.661 0.784 . . . . 42.53 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 p -139.94 -25.69 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.837 -0.619 . . . . 74.35 111.69 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 64.67 127.01 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.986 0.914 . . . . 72.22 111.902 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.24 -13.88 3.89 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.741 -0.663 . . . . 63.32 111.794 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -74.7 125.93 29.77 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.138 -1.392 . . . . 74.13 111.789 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -130.15 159.65 36.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.549 -0.75 . . . . 73.5 110.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.6 p -90.05 118.62 29.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.067 -0.515 . . . . 73.42 111.339 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -131.18 150.37 52.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.714 -0.675 . . . . 53.12 110.86 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 N--CA 1.465 0.3 0 CA-C-N 115.847 -0.615 . . . . 72.15 110.787 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.47 ' HA ' ' H ' ' A' ' 18' ' ' ILE . 4.0 pp . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 111.676 0.25 . . . . 75.44 111.676 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 18.7 t -57.53 136.83 56.76 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.141 0.793 . . . . 74.54 113.141 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.2 -30.15 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.758 -1.11 . . . . 62.14 111.537 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.1 t -93.45 -46.44 7.32 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.736 -0.666 . . . . 73.32 110.616 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.3 m -98.66 133.73 42.58 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 123.364 0.415 . . . . 65.02 110.236 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.13 50.74 1.8 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.508 0.671 . . . . 63.35 109.384 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -120.85 130.06 53.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.128 -0.942 . . . . 72.21 110.656 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HA ' ' HB3' ' A' ' 10' ' ' LEU . 32.7 ptt180 -58.36 107.44 0.49 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.691 0.619 . . . . 73.24 111.154 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 22' ' ' GLU . 10.0 mt -56.34 98.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-N 115.675 -0.693 . . . . 73.32 110.136 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 18.1 ttp180 -148.09 175.94 10.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.189 -0.914 . . . . 73.25 111.629 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . 56.1 -77.93 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.846 1.258 . . . . 73.32 113.915 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -80.06 -64.18 1.24 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 122.319 0.247 . . . . 62.12 111.056 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 33.55 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.703 1.201 . . . . 64.3 113.817 -179.593 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.558 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 19.7 mmt 42.35 45.16 3.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.319 1.048 . . . . 73.45 112.609 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -113.13 173.41 6.4 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.21 -0.905 . . . . 74.24 111.385 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -109.79 146.23 35.35 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.556 -0.747 . . . . 73.33 110.193 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -77.95 119.04 20.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.063 -0.517 . . . . 74.14 111.58 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -86.22 -178.92 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.437 -0.801 . . . . 61.35 109.862 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.634 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -47.78 -66.51 0.39 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.496 0.925 . . . . 71.52 113.496 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.74 -38.75 2.81 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.107 0.41 . . . . 64.13 112.107 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 79.5 mttt -102.31 152.72 20.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.013 0.375 . . . . 74.21 112.013 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 p -118.58 141.99 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.796 -0.638 . . . . 70.13 109.765 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 42.4 m-85 -135.26 152.58 51.66 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.25 0.343 . . . . 73.03 111.603 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.86 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 23.9 m80 -65.47 168.16 7.71 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.111 -0.495 . . . . 71.24 110.34 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.69 -49.81 73.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.714 0.292 . . . . 74.42 110.608 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.79 -23.23 66.04 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.588 -0.733 . . . . 72.11 111.683 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.86 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 35.1 m -86.36 -1.57 57.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.643 -0.708 . . . . 50.41 112.088 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -95.54 54.82 1.62 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.554 0.692 . . . . 74.33 109.611 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 159.86 25.72 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.213 -0.903 . . . . 61.52 112.216 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 7.6 t -66.38 147.21 53.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.671 -0.695 . . . . 74.45 111.563 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.97 -9.16 28.83 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.17 -0.468 . . . . 44.53 111.994 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.32 -50.52 4.09 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.785 0.291 . . . . 62.42 111.785 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.5 p -106.39 -5.79 18.74 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.647 0.24 . . . . 72.25 111.647 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.537 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 13.1 mm100 65.86 8.96 5.69 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.315 1.046 . . . . 74.42 113.055 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.2 tttt -66.08 161.67 21.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.647 0.379 . . . . 63.34 111.428 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -102.87 147.13 27.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.998 -0.547 . . . . 71.44 110.772 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -99.81 143.81 29.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.755 -0.657 . . . . 74.55 110.811 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 p -120.57 162.16 20.1 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 65.21 111.026 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.53 130.76 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 116.142 -0.481 . . . . 73.4 111.928 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.11 -14.87 36.88 Favored Glycine 0 C--N 1.337 0.596 0 O-C-N 123.636 0.585 . . . . 64.22 113.092 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.57 149.8 23.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.642 0.258 . . . . 71.24 110.842 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -86.63 136.88 32.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.906 -0.588 . . . . 74.23 111.236 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -128.72 155.82 44.47 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.03 -0.532 . . . . 65.34 111.405 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -119.99 121.2 38.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.51 -0.768 . . . . 63.11 109.381 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -86.29 115.31 23.75 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.912 -0.586 . . . . 55.3 111.015 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.47 176.37 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.404 -0.817 . . . . 70.24 110.597 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.421 ' H ' HG13 ' A' ' 55' ' ' ILE . 11.5 m120 -47.82 -34.92 9.32 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.679 0.992 . . . . 75.13 113.679 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.527 ' H ' HG23 ' A' ' 55' ' ' ILE . 51.4 m -111.18 -67.72 0.98 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.578 0.584 . . . . 70.43 112.578 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.588 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.45 -165.09 1.15 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.992 0.367 . . . . 75.52 111.992 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -94.47 135.37 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 122.864 0.466 . . . . 73.24 110.417 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.79 122.69 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.005 -0.543 . . . . 72.23 110.342 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.13 160.86 20.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.054 0.541 . . . . 72.41 112.043 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 65' ' ' ILE . 42.8 mt-10 -64.12 -18.91 64.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.989 -0.551 . . . . 74.23 112.11 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -66.81 -44.76 80.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.336 -0.393 . . . . 75.13 111.829 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.9 13.19 22.2 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.352 0.501 . . . . 42.3 112.352 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -59.32 -54.02 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 112.771 0.656 . . . . 73.54 112.771 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.64 -52.35 66.06 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.152 0.581 . . . . 70.12 112.344 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.0 mt-10 -63.73 -41.0 98.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.665 0.617 . . . . 63.44 112.665 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.1 -50.82 64.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.564 0.346 . . . . 73.13 111.368 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.2 p -62.85 -29.08 70.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.964 0.506 . . . . 70.34 111.288 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 32.2 tttp -65.27 -38.53 90.57 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.113 -0.949 . . . . 73.44 112.801 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 67' ' ' GLU . 4.7 mt -84.15 -48.08 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 113.238 0.829 . . . . 74.41 113.238 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.07 -30.17 15.42 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.332 0.864 . . . . 73.23 113.332 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.47 0 C-N-CA 120.974 -0.631 . . . . 72.21 112.719 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.607 0.241 . . . . 73.24 110.742 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.27 139.48 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.803 -0.635 . . . . 64.22 109.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 89.7 mtp -119.95 150.21 40.88 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.934 -0.575 . . . . 73.44 111.232 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.69 146.01 6.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.805 -0.634 . . . . 61.23 110.399 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.44 109.44 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 123.336 0.398 . . . . 74.03 111.005 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.4 162.99 46.58 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 115.594 -0.73 . . . . 65.22 113.423 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.05 156.92 82.88 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.105 -0.474 . . . . 70.12 111.59 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.558 ' HB3' ' O ' ' A' ' 23' ' ' MET . 4.4 Cg_exo -77.64 139.37 17.94 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.42 2.08 . . . . 72.51 112.58 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.17 111.46 17.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.072 -0.513 . . . . 74.13 111.217 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.4 pp -66.15 129.75 40.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.728 -0.669 . . . . 74.54 112.062 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 66.5 mtt 40.86 102.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.689 1.196 . . . . 54.23 113.577 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.24 -149.0 18.91 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.597 -0.729 . . . . 64.12 112.537 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.57 -110.96 0.27 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 121.416 -0.421 . . . . 74.41 112.573 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -99.7 149.73 23.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.332 0.253 . . . . 65.14 110.998 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -99.75 -43.0 6.61 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.781 -0.645 . . . . 72.24 111.213 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.86 75.07 0.05 OUTLIER Glycine 0 C--N 1.341 0.837 0 C-N-CA 121.38 -0.438 . . . . 61.51 112.537 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -128.32 11.16 6.36 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.797 0.332 . . . . 72.42 111.388 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.03 -24.89 23.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.011 -0.541 . . . . 62.44 111.884 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.49 -22.38 30.25 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.102 0.408 . . . . 61.45 112.102 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -87.16 -37.15 17.58 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.25 0.344 . . . . 75.34 111.643 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.11 13.18 21.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.394 0.434 . . . . 72.2 111.697 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.7 tt -90.0 -43.45 10.53 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.405 -0.361 . . . . 75.13 111.237 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.407 ' H ' HG13 ' A' ' 106' ' ' ILE . 1.4 pp -99.67 109.13 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 123.321 0.388 . . . . 42.53 111.23 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.0 p -145.15 152.27 39.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.636 -0.711 . . . . 74.35 111.048 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -100.55 128.92 46.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.862 -0.608 . . . . 72.22 110.708 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.54 150.64 40.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.859 -0.61 . . . . 63.32 111.039 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.95 151.77 20.53 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.807 -0.633 . . . . 74.13 110.892 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -96.75 145.32 25.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.92 -0.582 . . . . 73.5 110.712 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.6 p 41.99 -177.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.817 1.247 . . . . 73.42 114.22 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -130.73 -43.37 1.11 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.218 -0.446 . . . . 53.12 111.165 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.236 0.348 0 O-C-N 123.378 0.424 . . . . 72.15 110.812 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 111.903 0.335 . . . . 75.44 111.903 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -74.12 133.8 42.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.972 0.415 . . . . 74.54 111.25 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.19 -24.08 66.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.526 -0.761 . . . . 62.14 111.563 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 t -97.28 -46.24 6.19 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.739 -0.664 . . . . 73.32 110.814 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.76 148.16 25.61 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.36 0.412 . . . . 65.02 110.982 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.87 46.42 1.36 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.578 -0.897 . . . . 63.35 108.578 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' HD23 ' A' ' 10' ' ' LEU . 87.3 tttt -120.12 135.88 54.8 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.443 -1.253 . . . . 72.21 110.533 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -65.66 119.15 10.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.9 -0.591 . . . . 73.24 110.742 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' A' ' 22' ' ' GLU . 13.0 mt -71.54 97.9 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.128 0.49 . . . . 73.32 109.808 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.557 HH21 HH22 ' A' ' 104' ' ' ARG . 28.5 ptt180 -148.27 171.8 15.38 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.171 -0.922 . . . . 73.25 111.979 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 56.3 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.805 1.242 . . . . 73.32 113.835 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.9 t80 -76.84 -60.44 2.36 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.54 0.336 . . . . 62.12 110.742 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.655 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 30.38 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.276 1.43 . . . . 64.3 114.817 179.051 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.5 mtt 49.53 40.69 19.84 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.139 0.976 . . . . 73.45 112.538 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -116.44 169.02 9.64 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.56 -0.746 . . . . 74.24 111.611 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.25 167.27 9.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.44 -0.8 . . . . 73.33 110.928 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -86.75 122.55 30.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.337 -0.392 . . . . 74.14 111.364 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -97.08 -179.02 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.683 -0.69 . . . . 61.35 109.474 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.694 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -48.39 -66.82 0.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.773 1.027 . . . . 71.52 113.773 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.38 -42.74 2.54 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.466 0.543 . . . . 64.13 112.466 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 73.5 mttt -108.64 153.93 22.71 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.269 0.355 . . . . 74.21 111.655 -178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -112.67 138.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.9 -0.591 . . . . 70.13 109.817 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 32.9 m-85 -117.85 150.44 39.17 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.052 -0.522 . . . . 73.03 111.137 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.84 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 18.1 m80 -65.58 164.18 14.71 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.735 -0.469 . . . . 71.24 109.735 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.21 -47.61 76.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.696 0.225 . . . . 74.42 110.683 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.54 -24.88 66.43 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.962 -0.563 . . . . 72.11 111.385 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.84 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 37.0 m -86.26 -5.28 59.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.754 -0.657 . . . . 50.41 112.316 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -94.07 55.29 2.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.517 0.675 . . . . 74.33 110.388 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -121.37 160.73 23.43 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.183 -0.917 . . . . 61.52 111.747 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 23.3 t -66.15 146.95 54.05 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.215 0.606 . . . . 74.45 111.656 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.97 -6.52 38.78 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.433 0.458 . . . . 44.53 112.08 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.84 -48.99 3.91 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.911 0.337 . . . . 62.42 111.911 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.9 p -110.0 -4.2 16.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.752 0.279 . . . . 72.25 111.752 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 65.0 11.81 7.39 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.157 0.983 . . . . 74.42 113.079 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.0 tttt -65.94 162.4 19.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.56 0.344 . . . . 63.34 111.33 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -101.58 151.41 22.02 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.029 -0.532 . . . . 71.44 110.902 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -104.98 136.59 44.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.73 -0.668 . . . . 74.55 111.015 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.57 165.48 14.95 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.294 -0.866 . . . . 65.21 111.07 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.68 140.57 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 122.934 0.494 . . . . 73.4 111.616 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.97 5.92 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 115.935 -0.575 . . . . 64.22 113.133 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.58 152.39 19.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.326 0.25 . . . . 71.24 111.277 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -88.22 142.92 27.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.4 153.56 46.95 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.066 -0.515 . . . . 65.34 111.314 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 tt -116.23 126.26 53.37 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.52 -0.763 . . . . 63.11 109.663 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -89.26 113.63 24.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.907 -0.588 . . . . 55.3 110.748 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.13 176.42 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-N 115.518 -0.764 . . . . 70.24 110.652 179.617 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -47.77 -33.94 7.83 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.882 1.067 . . . . 75.13 113.882 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.2 m -120.03 -57.88 1.91 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.852 0.686 . . . . 70.43 112.852 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.33 -163.12 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.025 0.38 . . . . 75.52 112.025 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -105.52 138.68 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 122.86 0.464 . . . . 73.24 110.045 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 68' ' ' TRP . 17.0 t -120.78 126.61 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 123.517 0.511 . . . . 72.23 110.384 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.25 159.36 23.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.885 -0.598 . . . . 72.41 111.929 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.652 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.9 tt0 -63.11 -20.48 65.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.914 0.485 . . . . 74.23 111.647 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -67.02 -41.7 86.17 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.762 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.4 6.09 21.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.643 0.608 . . . . 42.3 112.643 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.21 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.223 0.823 . . . . 73.54 113.223 -178.502 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.82 -53.23 60.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.07 0.548 . . . . 70.12 112.478 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.599 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.12 -39.84 93.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.778 0.659 . . . . 63.44 112.778 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.467 ' CD1' HG21 ' A' ' 60' ' ' VAL . 58.1 t-105 -65.5 -51.3 61.04 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.633 0.373 . . . . 73.13 111.76 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 p -64.33 -29.42 70.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.059 0.457 . . . . 70.34 111.367 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 31.6 tttp -65.56 -41.43 92.97 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.05 -0.977 . . . . 73.44 112.011 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.599 HG12 ' O ' ' A' ' 67' ' ' GLU . 14.0 mm -84.73 -46.95 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.09 -0.505 . . . . 74.41 111.702 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -76.81 -29.83 56.16 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.698 0.629 . . . . 73.23 112.698 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.606 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.532 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.442 0.163 . . . . 73.24 110.845 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.1 t -102.65 134.48 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 115.97 -0.559 . . . . 64.22 110.065 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -120.14 153.89 35.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.663 -0.699 . . . . 73.44 110.895 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.16 149.97 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.983 -0.553 . . . . 61.23 110.538 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.14 110.27 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.893 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.04 151.01 52.02 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.629 -0.714 . . . . 65.22 113.751 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.98 116.75 35.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 122.922 0.489 . . . . 70.12 111.616 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.9 152.97 80.03 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.511 2.141 . . . . 72.51 112.965 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -107.46 121.45 44.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.879 -0.6 . . . . 74.13 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.82 151.15 47.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.865 -0.607 . . . . 74.54 111.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.7 mmt 41.09 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.711 1.204 . . . . 54.23 113.585 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.88 55.03 0.56 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.534 -0.757 . . . . 64.12 112.42 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.93 151.72 5.59 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.515 -0.374 . . . . 74.41 112.51 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -124.11 150.31 45.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.716 0.293 . . . . 65.14 111.068 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 48.73 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.395 1.078 . . . . 72.24 112.685 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -127.16 -163.31 11.41 Favored Glycine 0 C--O 1.235 0.207 0 CA-C-N 114.319 -1.309 . . . . 61.51 112.543 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -133.87 85.65 2.22 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.285 0.564 . . . . 72.42 110.623 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -88.43 -32.92 18.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.377 -0.829 . . . . 62.44 111.968 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -84.39 -27.3 27.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.111 0.411 . . . . 61.45 112.111 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -87.07 -27.7 22.99 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.79 0.293 . . . . 75.34 111.79 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.557 HH22 HH21 ' A' ' 19' ' ' ARG . 79.2 mtp180 -92.15 -4.24 54.52 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.335 0.397 . . . . 72.2 111.904 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.6 tt -92.56 -43.48 9.12 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.532 -0.304 . . . . 75.13 111.144 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -99.06 125.77 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.324 0.39 . . . . 42.53 111.374 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 p -139.06 139.39 37.76 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.879 -0.6 . . . . 74.35 110.994 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -99.38 -43.3 6.62 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.953 -0.567 . . . . 72.22 111.272 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.2 146.58 45.07 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.289 0.368 . . . . 63.32 110.905 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.04 23.75 6.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.876 -0.602 . . . . 74.13 111.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.41 131.84 47.31 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.846 -0.615 . . . . 73.5 110.852 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -103.77 143.48 32.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.925 -0.58 . . . . 73.42 111.092 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -114.15 150.27 34.42 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.848 -0.615 . . . . 53.12 110.907 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.919 -0.582 . . . . 72.15 110.834 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 3.7 mm? . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.107 0.479 . . . . 75.44 111.8 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 38.9 t -64.89 148.61 51.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.123 -0.944 . . . . 74.54 111.954 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.31 -36.52 83.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.327 -0.851 . . . . 62.14 111.799 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -96.03 -41.8 8.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.655 -0.702 . . . . 73.32 111.61 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -97.76 155.48 17.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.107 0.254 . . . . 65.02 110.867 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.6 27.41 2.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.256 0.55 . . . . 63.35 110.325 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -113.98 138.28 50.57 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.478 -0.783 . . . . 72.21 110.415 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HA ' ' HA ' ' A' ' 10' ' ' LEU . 44.2 mtt180 -66.03 155.85 35.47 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 115.629 -0.714 . . . . 73.24 111.209 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.617 HG12 ' CD2' ' A' ' 33' ' ' HIS . 78.2 mt -120.04 98.09 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 121.429 0.633 . . . . 73.32 112.402 -177.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.591 ' HA ' ' OE2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -150.69 159.77 44.29 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.759 -1.11 . . . . 73.25 110.897 178.818 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.471 ' H ' ' HD3' ' A' ' 19' ' ' ARG . . . 51.08 -81.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 124.307 1.043 . . . . 73.32 113.807 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -64.79 -20.23 66.26 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.895 0.478 . . . . 62.12 110.838 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.591 ' OE2' ' HA ' ' A' ' 19' ' ' ARG . 4.2 pt-20 -29.05 -60.71 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.783 1.233 . . . . 64.3 113.874 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.832 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 25.6 mmt 40.46 68.23 0.43 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.851 0.834 . . . . 73.45 110.234 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.409 ' N ' ' HA ' ' A' ' 92' ' ' THR . 14.9 t -157.5 -173.79 4.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 114.6 -1.182 . . . . 74.24 110.081 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.537 ' HB2' ' N ' ' A' ' 89' ' ' GLY . 3.1 ppp? -117.2 164.52 14.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.691 -0.404 . . . . 73.33 112.064 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.759 ' H ' ' H ' ' A' ' 90' ' ' GLU . 40.9 ttt180 -100.11 122.85 43.61 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 74.14 109.939 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.4 t -89.96 -179.18 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.903 -0.59 . . . . 61.35 110.191 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.637 ' H ' HG12 ' A' ' 27' ' ' VAL . 89.6 mttt -48.59 -62.6 1.42 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.731 1.012 . . . . 71.52 113.731 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.59 -38.1 2.92 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.137 0.421 . . . . 64.13 112.137 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 81.2 mttt -99.99 154.2 18.58 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.523 0.515 . . . . 74.21 111.549 -178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -120.11 135.39 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.259 -0.645 . . . . 70.13 109.259 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 73.5 m-85 -123.24 146.6 47.71 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.455 0.472 . . . . 73.03 111.674 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.819 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 28.3 m80 -64.91 174.01 2.08 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.395 0.678 . . . . 71.24 111.831 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.685 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.5 pp -65.52 -47.03 77.35 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 109.946 -0.391 . . . . 74.42 109.946 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.14 -20.49 66.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.191 -0.913 . . . . 72.11 110.808 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.819 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 13.9 m -96.72 -4.48 40.65 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.251 -0.886 . . . . 50.41 112.238 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -115.41 58.96 0.72 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.375 0.607 . . . . 74.33 110.342 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -120.97 159.8 24.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.412 -0.813 . . . . 61.52 111.64 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.4 t -66.12 146.97 54.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.603 -0.726 . . . . 74.45 111.861 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.06 -1.35 57.8 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.923 -0.58 . . . . 44.53 111.988 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.29 -48.2 2.97 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.053 0.39 . . . . 62.42 112.053 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.1 p -110.37 -6.75 14.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.875 0.324 . . . . 72.25 111.875 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 17.8 mm-40 65.01 10.67 6.46 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.101 0.96 . . . . 74.42 112.998 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 63.1 tttt -65.9 161.7 20.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.698 0.399 . . . . 63.34 111.518 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -97.05 153.9 17.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.762 -0.654 . . . . 71.44 111.033 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -102.6 148.66 25.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.931 -0.577 . . . . 74.55 111.13 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -121.15 161.45 21.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.995 -1.002 . . . . 65.21 111.85 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.83 136.4 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.87 -0.605 . . . . 73.4 112.422 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.44 6.14 58.75 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.95 -0.568 . . . . 64.22 113.586 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.9 m-20 -119.62 147.57 44.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.798 0.299 . . . . 71.24 111.06 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -90.04 138.1 31.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.809 -0.632 . . . . 74.23 110.875 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.425 ' OH ' HG13 ' A' ' 27' ' ' VAL . 44.2 p90 -128.57 159.9 34.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.061 -0.518 . . . . 65.34 111.524 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tt -117.71 125.96 51.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.566 -0.743 . . . . 63.11 109.457 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 tt -91.11 110.83 22.11 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.961 -0.563 . . . . 55.3 110.462 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -88.38 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.557 -0.747 . . . . 70.24 110.875 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -47.95 -35.49 10.85 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.681 0.993 . . . . 75.13 113.681 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.508 ' H ' HG23 ' A' ' 55' ' ' ILE . 51.5 m -107.79 -72.23 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.097 0.406 . . . . 70.43 112.097 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.39 -164.98 1.14 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.25 0.22 . . . . 75.52 111.538 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -95.66 142.73 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 122.679 0.391 . . . . 73.24 110.224 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.511 HG21 ' CD1' ' A' ' 68' ' ' TRP . 10.9 t -120.34 125.05 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 O-C-N 123.543 0.527 . . . . 72.23 109.999 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 p -62.83 157.28 21.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.139 0.575 . . . . 72.41 112.122 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -60.9 -21.65 63.56 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.929 -0.578 . . . . 74.23 111.994 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -41.04 86.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.744 0.417 . . . . 75.13 111.691 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -110.44 5.83 21.68 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.666 0.617 . . . . 42.3 112.666 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.55 -53.62 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 113.141 0.793 . . . . 73.54 113.141 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.0 t80 -60.07 -52.87 63.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.582 0.586 . . . . 70.12 112.582 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.0 -39.18 93.08 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.781 0.66 . . . . 63.44 112.781 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CD1' HG21 ' A' ' 60' ' ' VAL . 61.2 t-105 -65.4 -53.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.555 0.342 . . . . 73.13 111.255 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -61.39 -28.93 69.6 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.27 0.557 . . . . 70.34 111.166 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 58.0 tttt -65.1 -38.51 90.93 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.913 -1.039 . . . . 73.44 112.684 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.2 mm -84.19 -47.55 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 112.974 0.731 . . . . 74.41 112.974 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -92.75 -30.04 15.72 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 113.126 0.787 . . . . 73.23 113.126 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.549 0 C-N-CA 121.024 -0.608 . . . . 72.21 112.747 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.524 0.202 . . . . 73.24 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 t -125.41 137.91 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.842 -0.617 . . . . 64.22 109.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.501 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 66.7 mtm -108.51 147.45 31.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.78 -0.646 . . . . 73.44 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.92 148.44 6.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.865 -0.607 . . . . 61.23 110.766 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 50' ' ' ASP . 96.8 t -58.99 109.82 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 115.712 -0.677 . . . . 74.03 111.375 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.537 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.42 -117.6 0.01 OUTLIER Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.138 -0.937 . . . . 65.22 114.92 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.759 ' H ' ' H ' ' A' ' 26' ' ' ARG . 11.0 mt-10 -49.96 164.58 0.35 Allowed Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 124.407 1.083 . . . . 70.12 112.513 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -83.3 147.14 12.69 Favored 'Trans proline' 0 C--N 1.375 1.935 0 N-CA-C 117.27 1.989 . . . . 72.51 117.27 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.768 ' HA ' ' C ' ' A' ' 23' ' ' MET . 7.5 t -102.17 164.63 11.59 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 111.527 -2.579 . . . . 74.13 107.615 174.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.832 ' H ' ' HB3' ' A' ' 23' ' ' MET . 5.4 tt -39.84 97.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.851 1.261 . . . . 74.54 112.774 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 tpp -66.46 -48.86 68.57 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.361 -1.29 . . . . 54.23 112.082 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -118.97 -85.58 0.99 Allowed Glycine 0 C--N 1.343 0.932 0 O-C-N 123.379 0.424 . . . . 64.12 112.988 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.31 -164.1 28.72 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 121.303 -0.475 . . . . 74.41 112.882 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -103.41 161.95 13.42 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.514 0.326 . . . . 65.14 110.982 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -87.47 -42.9 12.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.096 -0.502 . . . . 72.24 111.667 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.89 138.7 3.02 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 121.366 -0.445 . . . . 61.51 112.731 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -129.76 60.83 1.58 Allowed 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.478 0.656 . . . . 72.42 110.425 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -88.19 -23.04 23.7 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.345 -0.843 . . . . 62.44 112.176 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.66 -20.77 30.75 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.573 0.582 . . . . 61.45 112.573 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.12 -15.17 39.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.372 0.508 . . . . 75.34 112.372 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -89.61 -29.67 18.68 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.044 0.387 . . . . 72.2 112.044 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -41.76 10.84 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.394 0.434 . . . . 75.13 111.694 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.98 151.01 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 123.348 0.405 . . . . 42.53 111.51 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 p -127.17 125.11 40.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.897 -0.592 . . . . 74.35 110.973 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -105.42 138.5 41.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.907 -0.588 . . . . 72.22 110.867 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.55 140.42 51.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.875 -0.602 . . . . 63.32 110.975 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.01 143.92 32.54 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.846 -0.615 . . . . 74.13 110.804 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -128.69 142.53 50.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.879 -0.601 . . . . 73.5 110.866 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.2 t -103.33 -44.1 5.25 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.83 -0.623 . . . . 73.42 111.306 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -99.06 149.74 22.72 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.422 0.451 . . . . 53.12 110.975 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 115.879 -0.601 . . . . 72.15 111.019 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.737 0.303 . . . . 75.44 111.476 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 t -95.06 114.13 25.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.51 -0.768 . . . . 74.54 110.128 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -65.99 -6.35 12.41 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.961 1.097 . . . . 62.14 113.961 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -98.0 -53.68 3.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.923 0.342 . . . . 73.32 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 p -100.9 0.74 38.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.325 0.491 . . . . 65.02 112.325 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 57.28 28.87 15.86 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.687 0.795 . . . . 63.35 112.451 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -104.66 142.97 33.73 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.88 -0.6 . . . . 72.21 110.161 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -65.5 125.12 24.18 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.759 -0.655 . . . . 73.24 111.411 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 22' ' ' GLU . 64.1 mt -76.56 142.61 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 109.367 -0.605 . . . . 73.32 109.367 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -121.51 -174.4 2.85 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.453 0.47 . . . . 73.25 111.884 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -19.67 18.21 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.425 0.898 . . . . 73.32 113.425 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.615 ' O ' ' HG2' ' A' ' 23' ' ' MET . 66.3 t80 -68.7 -63.93 0.96 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.759 -0.459 . . . . 62.12 109.759 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.632 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 32.96 -71.12 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.874 1.805 . . . . 64.3 115.874 178.75 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 39.0 mmt 49.71 44.69 24.78 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.664 0.745 . . . . 73.45 110.826 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 22' ' ' GLU . 42.1 p -117.79 169.49 9.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.898 -1.046 . . . . 74.24 112.248 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -104.63 159.54 15.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.365 -0.834 . . . . 73.33 110.073 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -86.65 119.63 27.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.962 0.41 . . . . 74.14 111.391 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.677 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -91.69 -179.24 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 115.326 -0.852 . . . . 61.35 109.537 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.677 ' H ' HG12 ' A' ' 27' ' ' VAL . 86.6 mttt -53.43 -64.4 0.83 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.652 0.982 . . . . 71.52 113.652 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.63 -42.58 2.52 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 112.619 0.6 . . . . 64.13 112.619 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.9 mttt -108.89 141.76 40.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.242 0.46 . . . . 74.21 112.242 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.47 140.26 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.756 -0.831 . . . . 70.13 108.756 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 12' ' ' ALA . 36.5 m-85 -128.48 155.56 44.62 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.367 0.417 . . . . 73.03 111.51 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.677 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 19.8 m80 -65.42 157.92 28.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.977 0.511 . . . . 71.24 110.947 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.3 pp -65.64 -45.62 82.36 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.775 0.322 . . . . 74.42 110.712 178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.21 -27.1 67.72 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.523 -0.762 . . . . 72.11 111.51 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 29.1 m -89.08 -3.33 58.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.761 -0.654 . . . . 50.41 111.882 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -89.17 55.99 3.51 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.527 0.679 . . . . 74.33 110.171 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -120.68 163.41 18.11 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.118 -0.947 . . . . 61.52 111.748 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 33.7 t -65.91 147.02 54.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.439 0.695 . . . . 74.45 111.719 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.07 -12.0 34.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.872 0.693 . . . . 44.53 112.872 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -102.57 -50.38 3.59 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.29 0.478 . . . . 62.42 112.29 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 19.1 p -105.4 -5.2 20.6 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.864 0.32 . . . . 72.25 111.864 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.2 mm-40 64.87 11.98 7.4 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.198 0.999 . . . . 74.42 113.286 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 58.7 tttt -65.79 162.81 17.99 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.562 0.345 . . . . 63.34 111.309 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -99.33 153.02 19.3 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.156 -0.475 . . . . 71.44 111.14 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -104.04 146.29 28.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.646 -0.706 . . . . 74.55 111.02 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 t -120.63 158.28 27.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.408 -0.815 . . . . 65.21 111.032 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.7 134.06 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.094 -0.503 . . . . 73.4 112.184 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -24.41 23.23 Favored Glycine 0 C--N 1.337 0.638 0 O-C-N 123.605 0.566 . . . . 64.22 113.374 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.04 152.67 19.16 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.364 0.266 . . . . 71.24 111.34 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -85.77 136.81 33.18 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.89 -0.595 . . . . 74.23 111.229 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.439 ' OH ' HG13 ' A' ' 27' ' ' VAL . 26.6 p90 -126.21 153.75 44.25 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.543 0.527 . . . . 65.34 111.344 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.0 tp -112.67 131.31 55.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.707 -0.679 . . . . 63.11 109.644 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -94.59 110.58 22.38 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.568 0.543 . . . . 55.3 110.268 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.67 176.04 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 115.659 -0.7 . . . . 70.24 110.77 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -48.03 -35.05 10.38 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.772 1.027 . . . . 75.13 113.772 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.487 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.8 m -120.18 -56.55 1.99 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.825 0.676 . . . . 70.43 112.825 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.591 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.23 -161.3 0.87 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.017 0.377 . . . . 75.52 112.017 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -108.98 143.14 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 122.732 0.413 . . . . 73.24 110.272 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -120.22 125.64 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.906 -0.588 . . . . 72.23 110.081 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 8.4 p -65.57 158.54 26.81 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.072 -0.513 . . . . 72.41 112.181 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 65' ' ' ILE . 9.8 tt0 -63.6 -18.77 64.25 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.71 -0.677 . . . . 74.23 112.402 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -66.27 -52.66 45.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.331 0.493 . . . . 75.13 112.331 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.5 p30 -110.59 15.03 22.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.314 0.487 . . . . 42.3 112.314 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.28 -43.93 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.5 0.72 . . . . 73.54 112.877 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -62.06 -51.45 67.92 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.197 0.599 . . . . 70.12 112.305 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.1 mt-10 -63.98 -42.13 97.31 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.604 0.594 . . . . 63.44 112.604 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.51 ' HE1' HG12 ' A' ' 55' ' ' ILE . 48.8 t-105 -65.2 -46.41 80.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.602 0.361 . . . . 73.13 111.917 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 p -65.26 -29.56 70.34 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.808 0.443 . . . . 70.34 111.717 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.37 -41.48 93.72 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.568 -0.742 . . . . 73.44 111.689 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.4 mt -84.64 -47.29 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 123.411 0.444 . . . . 74.41 111.371 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -79.63 -0.91 35.78 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.845 -0.616 . . . . 73.23 112.569 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.723 0 C-N-CA 121.375 -0.44 . . . . 72.21 112.533 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.507 0.194 . . . . 73.24 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.89 145.77 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 115.905 -0.588 . . . . 64.22 110.029 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.676 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 5.6 mmt -119.35 150.95 39.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.883 -0.599 . . . . 73.44 110.973 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.31 142.42 14.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.01 -0.541 . . . . 61.23 110.359 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.46 110.26 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 123.444 0.465 . . . . 74.03 110.676 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.98 150.4 51.81 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.741 -0.663 . . . . 65.22 113.452 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.23 111.66 7.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.645 0.378 . . . . 70.12 111.584 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.89 162.29 32.83 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.408 2.072 . . . . 72.51 112.53 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -102.58 110.85 22.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 74.13 110.999 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.611 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 5.8 mp -66.65 150.73 48.62 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.485 -0.78 . . . . 74.54 112.047 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 8.7 ttt -65.9 -41.49 91.41 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.92 -0.582 . . . . 54.23 111.826 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.95 71.48 0.41 Allowed Glycine 0 C--N 1.34 0.759 0 CA-C-N 116.106 -0.497 . . . . 64.12 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.61 -47.89 0.04 OUTLIER Glycine 0 C--N 1.338 0.694 0 C-N-CA 121.35 -0.453 . . . . 74.41 112.75 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -95.8 149.33 21.63 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.311 0.245 . . . . 65.14 111.176 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.93 -41.21 5.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.761 -0.654 . . . . 72.24 111.177 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.68 133.79 8.15 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.473 0.483 . . . . 61.51 112.447 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -121.7 78.79 1.49 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.312 0.577 . . . . 72.42 110.747 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.48 -19.04 26.99 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.395 -0.82 . . . . 62.44 111.982 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 -23.8 29.95 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.392 0.516 . . . . 61.45 112.392 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.11 -29.33 21.92 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.891 0.33 . . . . 75.34 111.891 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -93.35 -1.79 55.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.273 0.358 . . . . 72.2 111.833 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.8 tt -94.95 -45.17 7.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.593 -0.276 . . . . 75.13 111.2 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -105.13 148.25 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 123.27 0.356 . . . . 42.53 111.433 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -140.15 148.07 41.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.653 -0.703 . . . . 74.35 110.92 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -126.71 148.63 49.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.904 -0.589 . . . . 72.22 111.002 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -122.38 149.2 44.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.785 -0.643 . . . . 63.32 110.929 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -118.03 147.5 43.16 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.992 -0.549 . . . . 74.13 111.058 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -123.39 143.99 49.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.793 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.4 p -120.03 -46.1 2.44 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.951 -0.568 . . . . 73.42 111.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -100.15 142.31 31.8 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.393 0.433 . . . . 53.12 110.993 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 C--O 1.234 0.247 0 CA-C-N 115.854 -0.612 . . . . 72.15 110.486 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 111.661 0.245 . . . . 75.44 111.661 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -98.77 120.02 38.51 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.75 -0.659 . . . . 74.54 109.971 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.5 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.15 -6.23 12.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.403 1.26 . . . . 62.14 114.403 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -108.9 -53.94 2.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.469 0.544 . . . . 73.32 112.469 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.0 -2.74 42.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.274 0.472 . . . . 65.02 112.274 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 58.79 24.18 12.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.803 0.841 . . . . 63.35 112.768 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -100.9 147.05 26.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.275 -0.42 . . . . 72.21 110.512 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -65.33 121.34 14.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.918 -0.583 . . . . 73.24 111.063 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.557 HG12 ' NE2' ' A' ' 33' ' ' HIS . 85.9 mt -83.28 98.54 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.516 0.674 . . . . 73.32 110.106 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -147.82 154.08 40.01 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.354 -1.294 . . . . 73.25 111.442 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.18 -70.78 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.625 1.17 . . . . 73.32 113.939 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 6.1 t80 -59.09 -63.47 1.29 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.158 0.583 . . . . 62.12 111.601 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 29.14 -86.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.911 1.448 . . . . 64.3 114.911 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.724 ' HA ' ' O ' ' A' ' 92' ' ' THR . 43.9 mmm 53.93 26.27 6.12 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.453 0.701 . . . . 73.45 112.261 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -119.71 -179.98 4.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.066 -0.516 . . . . 74.24 111.955 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.78 170.74 7.8 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.628 -0.715 . . . . 73.33 111.45 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -95.86 127.68 42.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 74.14 110.462 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.657 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.99 -178.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.829 -0.623 . . . . 61.35 109.716 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.657 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.1 mttt -43.75 -66.14 0.42 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.838 1.051 . . . . 71.52 113.838 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.4 -41.74 2.59 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.235 0.458 . . . . 64.13 112.235 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.5 mttt -102.36 151.73 21.91 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.301 0.376 . . . . 74.21 111.533 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 t -109.0 131.98 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.813 -0.63 . . . . 70.13 109.462 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 85.9 m-85 -121.15 145.33 47.93 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.473 0.483 . . . . 73.03 111.597 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.71 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.9 m80 -65.51 165.95 11.29 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.897 -0.592 . . . . 71.24 111.13 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -65.43 -48.7 71.86 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.613 0.244 . . . . 74.42 110.854 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.57 -29.98 70.18 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.797 -0.638 . . . . 72.11 111.372 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 24.4 m -83.79 -10.32 58.16 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.488 -0.778 . . . . 50.41 111.816 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 46' ' ' PHE . 32.8 t80 -98.03 55.58 1.17 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.42 0.628 . . . . 74.33 109.845 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -121.04 162.17 20.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.399 -0.818 . . . . 61.52 112.069 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.6 t -66.19 147.05 53.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.589 -0.732 . . . . 74.45 111.774 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.42 -3.97 46.03 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.026 -0.534 . . . . 44.53 111.852 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.14 -47.95 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.961 0.356 . . . . 62.42 111.961 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 28.0 p -109.73 -5.39 15.62 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.1 0.25 . . . . 72.25 111.649 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 65.27 10.73 6.7 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.194 0.997 . . . . 74.42 113.044 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.3 tttp -66.13 161.07 22.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.628 0.371 . . . . 63.34 111.376 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -100.8 152.89 19.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.999 -0.546 . . . . 71.44 111.015 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . 32.1 m-85 -107.97 130.87 55.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.735 -0.666 . . . . 74.55 111.333 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.4 m -120.78 171.35 8.67 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.933 -1.03 . . . . 65.21 110.834 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.52 141.51 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 122.81 0.444 . . . . 73.4 112.177 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.84 -34.03 5.91 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.854 -0.612 . . . . 64.22 113.027 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -96.4 152.24 18.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.622 0.248 . . . . 71.24 111.024 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -92.07 141.65 28.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.832 -0.622 . . . . 74.23 111.36 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -123.42 153.56 40.24 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.535 0.522 . . . . 65.34 111.513 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.94 124.59 47.43 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.404 -0.816 . . . . 63.11 109.639 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.41 111.49 20.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.898 -0.592 . . . . 55.3 110.758 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -88.06 176.37 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.53 -0.759 . . . . 70.24 110.728 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -47.76 -34.41 8.42 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.802 1.038 . . . . 75.13 113.802 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.521 ' H ' HG23 ' A' ' 55' ' ' ILE . 16.1 t -115.12 -64.04 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.446 0.535 . . . . 70.43 112.446 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.2 m-20 -120.48 -162.48 0.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.081 0.4 . . . . 75.52 112.081 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -97.48 134.3 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 122.883 0.473 . . . . 73.24 110.141 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.7 124.51 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.465 0.478 . . . . 72.23 110.34 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.9 p -65.02 160.55 20.62 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.819 -0.628 . . . . 72.41 112.061 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.634 ' O ' HG22 ' A' ' 65' ' ' ILE . 48.3 mt-10 -65.02 -19.8 66.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 74.23 111.881 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -66.98 -41.78 86.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.804 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -110.55 5.63 21.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.597 0.592 . . . . 42.3 112.597 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.22 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.097 0.777 . . . . 73.54 113.097 -178.417 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.515 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.8 t80 -59.52 -52.49 65.34 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.972 0.509 . . . . 70.12 112.25 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.08 -38.55 91.11 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.597 0.591 . . . . 63.44 112.597 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -65.23 -52.53 54.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.531 0.332 . . . . 73.13 111.06 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.3 p -62.38 -28.95 70.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.935 0.494 . . . . 70.34 111.014 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 59.9 tttt -65.02 -38.69 91.74 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.976 -1.011 . . . . 73.44 112.683 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.6 mm -84.14 -47.61 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.027 0.751 . . . . 74.41 113.027 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.04 -30.21 15.42 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.18 0.808 . . . . 73.23 113.18 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.471 0 C-N-CA 121.026 -0.607 . . . . 72.21 112.645 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.555 0.217 . . . . 73.24 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.79 141.59 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.907 -0.588 . . . . 64.22 110.054 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 mtt -119.58 151.59 38.41 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.904 -0.589 . . . . 73.44 110.937 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.92 154.07 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.897 -0.592 . . . . 61.23 111.071 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.2 123.01 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 115.66 -0.7 . . . . 74.03 110.748 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.47 175.66 15.43 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-N 115.826 -0.624 . . . . 65.22 113.969 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 119.68 62.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 123.074 0.55 . . . . 70.12 112.092 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.73 170.3 19.33 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.525 2.15 . . . . 72.51 113.141 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.724 ' O ' ' HA ' ' A' ' 23' ' ' MET . 7.8 p -101.94 111.07 23.2 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.991 -0.55 . . . . 74.13 110.147 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.06 153.27 42.7 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.563 0.949 . . . . 74.54 113.563 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 42.67 109.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.32 1.448 . . . . 54.23 113.84 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 21' ' ' TYR . . . -170.39 -39.15 0.03 OUTLIER Glycine 0 C--N 1.337 0.614 0 CA-C-N 114.753 -1.112 . . . . 64.12 112.507 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.438 ' H ' ' HG3' ' A' ' 23' ' ' MET . . . -139.79 -151.26 5.63 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 121.536 -0.364 . . . . 74.41 112.552 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.93 164.06 26.14 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.722 0.307 . . . . 65.14 110.934 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -89.96 -42.36 11.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.209 -0.45 . . . . 72.24 111.674 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.47 -122.07 1.39 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 121.275 -0.488 . . . . 61.51 112.686 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.79 91.6 2.49 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.316 0.579 . . . . 72.42 110.365 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -87.81 -18.7 28.74 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.198 -0.91 . . . . 62.44 112.036 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.08 -23.47 33.1 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.134 0.42 . . . . 61.45 112.134 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.09 -14.85 40.21 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.287 0.367 . . . . 75.34 111.981 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -92.38 5.22 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.402 -0.363 . . . . 72.2 111.769 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -90.65 -41.94 11.04 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.371 -0.377 . . . . 75.13 111.205 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.57 117.99 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.388 -0.369 . . . . 42.53 111.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.8 p -140.24 147.77 40.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.817 -0.629 . . . . 74.35 111.126 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -108.98 148.24 31.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.904 -0.589 . . . . 72.22 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.11 147.03 43.7 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.86 -0.609 . . . . 63.32 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 62.39 125.63 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.925 0.89 . . . . 74.13 112.079 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -114.76 141.3 48.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.751 -0.659 . . . . 73.5 110.852 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.8 t -101.85 124.26 47.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.96 -0.564 . . . . 73.42 111.019 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -130.01 141.73 50.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.859 -0.609 . . . . 53.12 110.492 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--O 1.234 0.281 0 CA-C-N 115.892 -0.594 . . . . 72.15 110.527 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--O 1.235 0.329 0 N-CA-C 112.002 0.371 . . . . 75.44 112.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 42.3 t -76.71 149.32 36.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.637 -0.71 . . . . 74.54 111.371 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -65.84 -35.72 81.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.294 -0.866 . . . . 62.14 112.097 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -97.58 -39.96 8.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.73 -0.668 . . . . 73.32 111.654 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 m -98.3 147.87 24.22 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.2 0.312 . . . . 65.02 111.016 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.03 37.17 1.09 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.665 0.745 . . . . 63.35 109.424 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -111.87 139.87 47.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 114.913 -1.04 . . . . 72.21 110.733 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -65.85 116.02 6.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.776 -0.647 . . . . 73.24 111.244 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 33' ' ' HIS . 52.0 mt -72.67 98.29 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.329 0.585 . . . . 73.32 110.01 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -148.2 -174.95 4.72 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.836 -1.074 . . . . 73.25 111.92 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.34 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.906 1.282 . . . . 73.32 113.671 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' ' HG3' ' A' ' 23' ' ' MET . 58.6 t80 -79.29 -56.9 4.0 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 122.511 0.324 . . . . 62.12 110.414 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 28.8 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.57 1.322 . . . . 64.3 114.57 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.414 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 65.1 mtt 47.09 53.1 11.09 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.113 0.965 . . . . 73.45 111.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.5 p -116.05 162.87 16.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.045 -0.979 . . . . 74.24 112.298 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -103.43 151.4 22.84 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.306 -0.861 . . . . 73.33 109.621 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -80.14 120.68 24.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.399 -0.364 . . . . 74.14 111.684 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.706 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.5 t -87.59 -179.24 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-N 115.709 -0.678 . . . . 61.35 109.581 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.706 ' H ' HG12 ' A' ' 27' ' ' VAL . 94.1 mttt -45.96 -64.45 0.74 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.994 1.109 . . . . 71.52 113.994 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.44 -44.96 2.44 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.061 0.393 . . . . 64.13 112.061 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 30.9 mtmt -110.28 151.92 26.79 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.238 0.336 . . . . 74.21 111.717 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -108.74 150.44 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.953 -0.567 . . . . 70.13 110.193 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 51.2 m-85 -132.04 153.64 50.2 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.012 -0.54 . . . . 73.03 111.268 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.873 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 22.6 m80 -65.61 163.37 16.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.985 0.514 . . . . 71.24 110.507 177.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 22' ' ' GLU . 2.6 mt -59.23 -50.2 74.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.61 0.243 . . . . 74.42 110.848 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.68 -22.75 66.08 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.765 -0.652 . . . . 72.11 111.593 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.873 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.1 m -84.78 -1.42 56.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.702 -0.681 . . . . 50.41 111.844 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.16 55.01 1.73 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.505 0.669 . . . . 74.33 109.804 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -120.97 162.04 20.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.234 -0.894 . . . . 61.52 111.58 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 37.3 t -66.21 147.18 53.71 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.811 -0.631 . . . . 74.45 111.744 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.85 -5.88 49.99 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.917 -0.583 . . . . 44.53 112.331 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.09 -50.58 3.07 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.087 0.403 . . . . 62.42 112.087 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.7 p -107.11 -4.81 18.49 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.774 0.287 . . . . 72.25 111.774 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 64.66 11.28 6.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.102 0.961 . . . . 74.42 113.0 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.3 tttt -65.91 161.99 20.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.669 0.388 . . . . 63.34 111.271 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.14 149.51 22.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.054 -0.521 . . . . 71.44 111.12 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -101.25 145.98 28.14 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.699 -0.682 . . . . 74.55 110.778 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.2 m -120.82 158.24 28.02 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.217 -0.901 . . . . 65.21 111.223 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.72 135.8 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 116.091 -0.504 . . . . 73.4 112.066 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -23.24 25.94 Favored Glycine 0 C--N 1.336 0.58 0 O-C-N 123.564 0.54 . . . . 64.22 113.167 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.8 m-20 -97.09 152.78 18.44 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 122.399 0.28 . . . . 71.24 111.108 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -86.96 139.8 30.23 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.233 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -129.93 157.02 43.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.09 -0.504 . . . . 65.34 111.343 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.53 129.39 56.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.668 -0.696 . . . . 63.11 109.663 178.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.98 115.0 27.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.947 -0.569 . . . . 55.3 110.667 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -92.9 176.16 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 115.692 -0.686 . . . . 70.24 110.68 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -48.01 -35.0 10.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.815 1.043 . . . . 75.13 113.815 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.481 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.8 t -120.13 -56.77 1.98 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.756 0.65 . . . . 70.43 112.756 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.605 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.1 m-20 -120.24 -161.53 0.88 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.128 0.418 . . . . 75.52 112.128 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.2 mt -110.28 141.8 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 122.823 0.449 . . . . 73.24 110.033 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 11.8 t -120.77 128.35 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 123.53 0.519 . . . . 72.23 110.403 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.4 158.47 26.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.909 -0.587 . . . . 72.41 112.084 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.3 mt-10 -61.2 -21.68 64.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.009 0.524 . . . . 74.23 111.885 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -67.06 -40.95 87.18 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.666 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -110.38 5.82 21.8 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.667 0.618 . . . . 42.3 112.667 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.56 -53.88 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 113.175 0.805 . . . . 73.54 113.175 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.1 t80 -59.26 -53.41 58.59 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.661 0.615 . . . . 70.12 112.661 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.16 -40.45 94.35 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.898 0.703 . . . . 63.44 112.898 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.8 t-105 -65.5 -50.88 63.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.585 0.354 . . . . 73.13 111.886 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.2 p -62.79 -29.48 70.75 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.972 0.415 . . . . 70.34 111.345 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 38.0 tttm -65.44 -42.15 92.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.124 -0.943 . . . . 73.44 111.893 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.2 mm -84.6 -46.98 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.857 -0.61 . . . . 74.41 111.76 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -76.8 -29.86 56.2 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.664 0.616 . . . . 73.23 112.664 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.641 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.557 179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.469 0.176 . . . . 73.24 110.791 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -106.11 134.18 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 115.948 -0.569 . . . . 64.22 110.0 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -120.21 155.88 32.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.639 -0.71 . . . . 73.44 111.367 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 50' ' ' ASP . 9.6 p -95.69 147.86 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.664 -0.698 . . . . 61.23 110.324 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.59 109.19 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 120.878 0.37 . . . . 74.03 111.345 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.66 168.66 39.17 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.491 -0.777 . . . . 65.22 113.321 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.25 157.5 81.27 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 119.044 -0.503 . . . . 70.12 111.318 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -76.53 136.14 17.09 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.247 1.965 . . . . 72.51 112.67 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -119.72 120.72 37.4 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.949 -0.569 . . . . 74.13 111.165 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.578 ' HA ' ' OE2' ' A' ' 22' ' ' GLU . 2.5 pp -65.54 151.22 46.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.77 -0.65 . . . . 74.54 112.044 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.404 ' HB2' ' OE1' ' A' ' 22' ' ' GLU . 9.4 ttt -65.49 151.26 46.81 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.95 -0.568 . . . . 54.23 111.655 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -145.05 -80.61 0.04 OUTLIER Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.829 -0.623 . . . . 64.12 112.485 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.36 90.16 0.08 OUTLIER Glycine 0 C--N 1.337 0.618 0 C-N-CA 121.408 -0.425 . . . . 74.41 112.61 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -129.15 132.82 47.39 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.645 0.262 . . . . 65.14 110.766 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -128.79 -36.88 1.79 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.89 -0.595 . . . . 72.24 111.479 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.37 -143.49 12.5 Favored Glycine 0 C--N 1.341 0.835 0 O-C-N 123.385 0.428 . . . . 61.51 112.832 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.78 93.19 2.48 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.351 0.596 . . . . 72.42 110.615 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -87.91 -18.73 28.52 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.254 -0.884 . . . . 62.44 112.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.12 -27.13 30.38 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.027 0.38 . . . . 61.45 112.027 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.08 -10.17 53.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.287 0.367 . . . . 75.34 111.881 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.9 -7.78 55.45 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.417 -0.356 . . . . 72.2 111.868 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.81 -39.09 11.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.434 -0.348 . . . . 75.13 111.074 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.9 mp 65.63 127.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.782 0.833 . . . . 42.53 110.969 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.0 p -100.31 150.88 22.12 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.766 -0.652 . . . . 74.35 111.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.17 148.24 24.82 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.896 -0.593 . . . . 72.22 110.946 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.56 149.06 49.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.896 -0.593 . . . . 63.32 110.929 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.57 147.42 50.34 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.924 -0.58 . . . . 74.13 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.37 145.28 37.81 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.662 0.601 . . . . 73.5 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -103.61 -47.53 4.22 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.853 -0.612 . . . . 73.42 111.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 63.32 127.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.951 0.9 . . . . 53.12 112.073 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 N--CA 1.485 1.324 0 C-N-CA 124.016 0.926 . . . . 72.15 112.101 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 111.561 0.208 . . . . 75.44 111.561 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 26.0 t -80.66 109.68 15.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 121.292 0.568 . . . . 74.54 111.102 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.93 -13.25 59.39 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.105 1.15 . . . . 62.14 114.105 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.5 p -92.84 -50.91 5.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.293 0.479 . . . . 73.32 112.293 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.8 p -100.1 6.14 44.94 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 111.831 0.308 . . . . 65.02 111.831 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.5 45.06 5.38 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.556 1.142 . . . . 63.35 112.78 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -120.26 152.1 38.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.491 -0.777 . . . . 72.21 110.446 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -65.56 122.83 18.13 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.899 -0.591 . . . . 73.24 111.754 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.474 HG12 ' NE2' ' A' ' 33' ' ' HIS . 33.9 mt -85.91 98.19 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 109.11 -0.7 . . . . 73.32 109.11 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.6 tmt_? -148.23 157.19 43.35 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.286 -0.87 . . . . 73.25 111.617 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 56.5 -71.18 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.858 1.263 . . . . 73.32 114.382 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' ' HG3' ' A' ' 23' ' ' MET . 5.7 t80 -68.13 -62.76 1.25 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.563 0.345 . . . . 62.12 111.58 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 33.62 -84.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.879 1.272 . . . . 64.3 114.158 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 64.4 mtt 51.31 35.75 14.54 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.944 0.898 . . . . 73.45 112.388 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -123.29 174.05 7.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.599 -0.728 . . . . 74.24 111.292 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.75 162.35 12.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 73.33 111.211 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -88.33 118.68 28.12 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.154 -0.475 . . . . 74.14 111.28 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.3 t -89.48 -179.19 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.613 -0.721 . . . . 61.35 109.615 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.697 ' H ' HG12 ' A' ' 27' ' ' VAL . 45.1 mmtt -51.21 -69.41 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.392 0.886 . . . . 71.52 113.392 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -120.38 -38.74 2.86 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.234 0.457 . . . . 64.13 112.234 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 78.2 mttt -104.52 131.84 51.46 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.231 0.332 . . . . 74.21 111.838 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 7.7 t -101.24 141.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 109.26 -0.644 . . . . 70.13 109.26 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 41.3 m-85 -133.79 147.29 51.24 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.38 -0.373 . . . . 73.03 111.547 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.749 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 39.8 m80 -65.85 164.59 14.55 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.891 -0.595 . . . . 71.24 111.235 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.3 pp -65.37 -47.52 76.12 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.485 0.184 . . . . 74.42 110.959 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.24 -28.1 68.46 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.912 -0.586 . . . . 72.11 111.273 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.749 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 21.0 m -85.98 -8.12 58.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.696 -0.683 . . . . 50.41 111.69 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -90.23 63.36 5.73 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.536 0.684 . . . . 74.33 110.261 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 96.2 mttt -120.74 165.79 14.62 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.06 -0.973 . . . . 61.52 111.138 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 45.1 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.391 -0.368 . . . . 74.45 111.705 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.18 -7.23 45.86 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.755 -0.657 . . . . 44.53 110.9 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -109.89 -38.04 5.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.616 -0.72 . . . . 62.42 111.733 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m -113.05 -17.23 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.968 0.359 . . . . 72.25 111.968 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 70.14 4.4 4.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.032 0.933 . . . . 74.42 112.1 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -66.09 167.06 10.57 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.316 0.646 . . . . 63.34 111.427 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -96.36 153.19 17.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.444 -0.344 . . . . 71.44 111.305 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 7.5 m-85 -102.55 157.12 17.16 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.648 -0.705 . . . . 74.55 111.108 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.53 152.89 37.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.542 -0.754 . . . . 65.21 111.087 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.7 128.28 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.914 -0.585 . . . . 73.4 112.218 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.89 -17.13 35.86 Favored Glycine 0 C--N 1.337 0.626 0 O-C-N 123.648 0.593 . . . . 64.22 113.241 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 88' ' ' VAL . 8.1 m-20 -93.43 154.18 18.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.39 0.276 . . . . 71.24 111.137 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -85.26 135.99 33.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.93 -0.577 . . . . 74.23 111.233 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -124.13 163.33 21.74 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.569 0.543 . . . . 65.34 111.58 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 60' ' ' VAL . 11.1 tp -112.94 137.21 51.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.519 -0.764 . . . . 63.11 110.072 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -110.28 108.35 18.42 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.621 -0.881 . . . . 55.3 108.621 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.802 HG21 ' HE1' ' A' ' 68' ' ' TRP . 1.1 tp -118.39 175.69 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 116.053 -0.521 . . . . 70.24 110.939 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.552 ' H ' HG13 ' A' ' 55' ' ' ILE . 4.1 m120 -51.6 -38.42 54.5 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.389 0.676 . . . . 75.13 110.753 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.702 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.6 m -111.63 93.71 4.6 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.979 -1.01 . . . . 70.43 110.301 178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.507 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.5 OUTLIER 43.09 -171.27 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.337 1.455 . . . . 75.52 114.863 179.098 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.7 mp -84.7 133.01 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.02 -0.991 . . . . 73.24 111.626 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 53' ' ' LEU . 1.1 m -114.58 132.48 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 123.804 0.69 . . . . 72.23 109.7 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.9 p -65.56 160.31 22.69 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.24 0.83 . . . . 72.41 113.24 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -60.29 -18.05 46.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.173 0.989 . . . . 74.23 112.832 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.63 -47.17 76.52 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.051 0.389 . . . . 75.13 112.051 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.96 15.37 21.78 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.411 0.522 . . . . 42.3 112.411 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -54.97 -53.39 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 112.894 0.702 . . . . 73.54 112.894 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.526 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.6 t80 -59.9 -52.75 64.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.444 0.465 . . . . 70.12 112.023 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.597 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.1 mt-10 -65.39 -38.15 89.13 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.517 0.562 . . . . 63.44 112.517 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.802 ' HE1' HG21 ' A' ' 55' ' ' ILE . 48.7 t-105 -65.42 -51.85 57.39 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.708 0.403 . . . . 73.13 111.504 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.1 p -64.43 -29.67 70.72 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.022 0.439 . . . . 70.34 111.282 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 29.8 tttp -65.71 -43.14 90.03 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.162 -0.926 . . . . 73.44 111.842 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 67' ' ' GLU . 16.5 mm -85.24 -47.15 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.078 -0.51 . . . . 74.41 111.928 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -79.22 -30.0 43.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.847 0.684 . . . . 73.23 112.847 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.617 0 C-N-CA 121.297 -0.477 . . . . 72.21 112.514 -179.927 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.599 0.238 . . . . 73.24 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.36 148.98 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 115.898 -0.592 . . . . 64.22 109.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -111.97 142.07 44.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.841 -0.618 . . . . 73.44 110.836 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.7 t -97.89 142.05 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 123.583 0.552 . . . . 61.23 110.502 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 50' ' ' ASP . 4.9 t -65.36 110.26 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 116.142 -0.481 . . . . 74.03 110.796 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.27 154.98 51.52 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.74 -0.664 . . . . 65.22 113.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.35 112.12 8.43 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 122.839 0.455 . . . . 70.12 111.803 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.0 160.19 45.58 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.517 2.145 . . . . 72.51 112.823 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -104.04 115.81 31.09 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.561 0.538 . . . . 74.13 111.209 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.95 135.33 54.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.741 -0.663 . . . . 74.54 111.832 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.71 91.48 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.954 -0.566 . . . . 54.23 111.847 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.11 100.63 2.22 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.502 0.501 . . . . 64.12 112.498 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.19 -130.43 2.58 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.409 -0.424 . . . . 74.41 112.546 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.56 123.95 44.3 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.691 0.289 . . . . 65.14 111.139 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -98.48 82.42 2.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.785 -0.643 . . . . 72.24 110.515 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.46 82.06 0.3 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.104 -0.953 . . . . 61.51 112.578 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.55 12.41 33.56 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.76 0.314 . . . . 72.42 111.396 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.11 -30.25 19.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.109 -0.496 . . . . 62.44 111.773 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.66 -27.64 26.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.119 0.414 . . . . 61.45 112.119 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.17 -24.72 24.37 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.175 0.435 . . . . 75.34 112.175 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.17 -37.15 12.89 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.267 0.354 . . . . 72.2 111.742 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.497 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.6 tp -92.84 -34.94 13.64 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.39 0.431 . . . . 75.13 111.348 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.8 pp 43.9 105.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 124.782 1.233 . . . . 42.53 113.74 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.4 p -115.98 -44.86 2.89 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.593 -0.731 . . . . 74.35 111.371 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -115.86 144.64 43.74 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.502 0.501 . . . . 72.22 110.6 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 pp -112.36 152.22 28.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.878 -0.601 . . . . 63.32 111.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.5 126.41 44.05 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.864 -0.607 . . . . 74.13 110.641 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -130.19 148.87 52.08 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.85 -0.614 . . . . 73.5 110.65 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 p -99.63 124.86 45.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 73.42 111.088 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -111.36 146.64 36.75 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.928 -0.578 . . . . 53.12 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 115.899 -0.591 . . . . 72.15 110.974 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 16' ' ' LYS . 5.0 mp . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 112.14 0.422 . . . . 75.44 112.14 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 43.0 t -66.36 120.9 14.11 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 121.306 0.575 . . . . 74.54 111.128 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.554 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.84 -15.05 62.55 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.804 -1.089 . . . . 62.14 113.191 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -98.23 -40.46 8.35 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.127 0.417 . . . . 73.32 112.127 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 m -97.92 -26.74 14.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.683 0.623 . . . . 65.02 112.683 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 66.05 31.02 9.26 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 63.35 110.621 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.499 ' C ' HD23 ' A' ' 10' ' ' LEU . 90.4 mttt -103.31 156.42 17.75 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.216 -0.902 . . . . 72.21 110.359 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.2 108.95 2.04 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.06 -0.518 . . . . 73.24 110.943 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.686 HG23 ' HG3' ' A' ' 22' ' ' GLU . 10.3 mt -73.89 97.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.495 -0.557 . . . . 73.32 109.495 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -148.92 166.87 27.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.431 -0.804 . . . . 73.25 112.04 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 35.92 -76.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.523 1.675 . . . . 73.32 115.523 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -69.04 7.43 0.71 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.097 0.559 . . . . 62.12 112.219 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.686 ' HG3' HG23 ' A' ' 18' ' ' ILE . 1.8 mm-40 -88.76 83.66 6.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 123.883 1.801 . . . . 64.3 111.721 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.871 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 19.1 mmt -100.44 82.39 2.47 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 110.237 -3.165 . . . . 73.45 104.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.4 t -157.66 -172.82 4.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.41 -0.813 . . . . 74.24 112.261 -172.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.54 ' HB2' ' N ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -113.78 165.43 12.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.386 -0.825 . . . . 73.33 111.85 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.743 ' H ' ' H ' ' A' ' 90' ' ' GLU . 46.5 mtt180 -105.95 130.73 53.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.942 -0.572 . . . . 74.14 110.758 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.6 t -92.28 -178.93 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.658 -0.701 . . . . 61.35 109.795 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.641 ' H ' HG12 ' A' ' 27' ' ' VAL . 30.0 mtpt -47.09 -62.05 1.6 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.745 1.017 . . . . 71.52 113.745 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -38.75 2.85 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.119 0.414 . . . . 64.13 112.119 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 79.6 mttt -99.52 155.06 17.77 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.457 0.473 . . . . 74.21 111.641 -178.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 6.7 t -120.07 141.15 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 109.087 -0.708 . . . . 70.13 109.087 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 77.7 m-85 -131.72 151.24 51.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.26 0.35 . . . . 73.03 111.669 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.851 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 45.1 m80 -65.45 171.22 4.15 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.208 0.603 . . . . 71.24 111.377 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.7 pp -65.24 -46.1 81.92 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 120.749 0.309 . . . . 74.42 111.009 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -66.3 -21.25 66.26 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.692 -0.685 . . . . 72.11 111.052 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.851 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 3.7 m -94.82 5.82 50.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.26 -0.882 . . . . 50.41 111.594 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HZ ' ' CE1' ' A' ' 52' ' ' TYR . 13.7 t80 -122.41 64.0 0.95 Allowed 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.372 0.606 . . . . 74.33 110.224 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -120.57 159.5 25.11 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.577 -0.738 . . . . 61.52 111.534 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 21.0 t -66.06 146.69 54.38 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.859 -0.609 . . . . 74.45 111.719 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.99 -3.74 58.88 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.662 0.616 . . . . 44.53 112.662 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -117.16 -47.56 2.67 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.161 0.43 . . . . 62.42 112.161 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.63 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.6 p -109.11 -6.76 15.49 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.033 0.382 . . . . 72.25 112.033 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 15.4 mm-40 63.16 16.35 9.3 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.994 0.918 . . . . 74.42 113.196 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.63 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.0 tttp -65.73 161.76 20.04 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.642 0.377 . . . . 63.34 111.777 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -96.87 154.34 17.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.798 -0.637 . . . . 71.44 110.78 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -110.93 146.64 36.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 74.55 111.295 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.471 ' O ' HG21 ' A' ' 88' ' ' VAL . 51.7 m -121.59 161.53 22.23 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.779 -1.1 . . . . 65.21 111.407 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 m -65.53 129.11 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 112.602 0.594 . . . . 73.4 112.602 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.73 6.36 37.93 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.71 -0.677 . . . . 64.22 113.552 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.4 t70 -115.25 154.72 28.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.77 0.285 . . . . 71.24 110.874 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -97.43 130.2 44.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.86 -0.609 . . . . 74.23 110.518 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CE1' ' HZ ' ' A' ' 37' ' ' PHE . 44.6 p90 -126.04 157.46 37.88 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.378 0.424 . . . . 65.34 111.682 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.75 130.66 56.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.371 -0.832 . . . . 63.11 109.801 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.56 105.74 17.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.983 -0.553 . . . . 55.3 110.141 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -86.64 176.1 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.63 -0.713 . . . . 70.24 110.954 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.418 ' H ' HG13 ' A' ' 55' ' ' ILE . 11.4 m120 -47.93 -35.81 11.28 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.673 0.99 . . . . 75.13 113.673 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.507 ' H ' HG23 ' A' ' 55' ' ' ILE . 18.0 t -105.52 -75.28 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.969 0.359 . . . . 70.43 111.969 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.598 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.48 -166.41 1.32 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.252 0.221 . . . . 75.52 111.592 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -89.94 142.79 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.846 0.459 . . . . 73.24 110.419 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 68' ' ' TRP . 21.8 t -120.3 118.57 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 O-C-N 123.6 0.562 . . . . 72.23 109.994 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.3 p -60.75 159.58 10.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.268 -0.424 . . . . 72.41 112.026 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 65' ' ' ILE . 42.4 mt-10 -64.38 -18.4 64.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.824 -0.625 . . . . 74.23 112.678 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -51.94 53.11 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.194 0.442 . . . . 75.13 112.194 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.1 p30 -110.77 15.13 22.08 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.756 0.65 . . . . 42.3 112.756 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.08 -49.06 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.77 0.656 . . . . 73.54 112.77 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.559 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 63.7 t80 -57.88 -53.42 58.43 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.965 0.728 . . . . 70.12 112.965 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.29 -39.03 92.01 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.261 0.467 . . . . 63.44 112.261 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.485 ' HE1' HG12 ' A' ' 55' ' ' ILE . 51.2 t-105 -65.47 -45.85 82.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.834 0.453 . . . . 73.13 111.283 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.6 p -62.98 -29.72 71.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.988 -0.551 . . . . 70.34 111.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 66' ' ' TYR . 41.7 mtmt -65.73 -40.87 92.61 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.917 -0.583 . . . . 73.44 112.177 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.2 mm -84.31 -47.03 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.568 -0.742 . . . . 74.41 111.904 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -79.81 -29.97 40.37 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.811 0.671 . . . . 73.23 112.811 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.621 0 C-N-CA 121.315 -0.469 . . . . 72.21 112.64 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.493 0.187 . . . . 73.24 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.6 t -125.58 137.05 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 115.835 -0.621 . . . . 64.22 109.904 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 38.4 mmt -110.07 139.88 44.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.703 -0.681 . . . . 73.44 110.743 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.81 150.11 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 115.794 -0.639 . . . . 61.23 111.021 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 50' ' ' ASP . 58.4 t -58.41 109.96 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.795 -0.639 . . . . 74.03 111.008 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.54 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.28 -120.51 0.01 OUTLIER Glycine 0 C--N 1.345 1.052 0 CA-C-N 114.989 -1.005 . . . . 65.22 115.266 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.743 ' H ' ' H ' ' A' ' 26' ' ' ARG . 6.8 mm-40 -52.84 168.9 0.31 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 124.236 1.014 . . . . 70.12 113.034 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -96.91 170.48 0.89 Allowed 'Trans proline' 0 C--N 1.375 1.958 0 N-CA-C 117.686 2.148 . . . . 72.51 117.686 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 23' ' ' MET . 29.7 p -100.2 167.04 10.69 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 110.507 -3.042 . . . . 74.13 105.984 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.871 ' H ' ' HB3' ' A' ' 23' ' ' MET . 1.5 pp -38.77 97.87 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.405 1.097 . . . . 74.54 113.54 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 37.2 mtt -65.92 -43.87 86.82 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 113.529 -1.669 . . . . 54.23 112.18 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.6 -102.14 0.2 Allowed Glycine 0 C--N 1.34 0.803 0 O-C-N 123.535 0.522 . . . . 64.12 112.479 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.0 -68.97 0.02 OUTLIER Glycine 0 C--N 1.337 0.632 0 C-N-CA 121.382 -0.437 . . . . 74.41 112.677 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.88 144.2 28.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.282 0.233 . . . . 65.14 111.067 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -130.39 -44.56 1.12 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.878 -0.601 . . . . 72.24 111.237 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.39 141.61 12.44 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.361 0.413 . . . . 61.51 112.499 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -136.89 87.79 2.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.266 0.555 . . . . 72.42 110.883 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.28 -19.28 26.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.334 -0.848 . . . . 62.44 111.955 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.66 -17.22 39.26 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.429 0.529 . . . . 61.45 112.429 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -86.18 -18.42 32.24 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.211 0.449 . . . . 75.34 112.211 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -88.17 -29.44 20.52 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 111.949 0.351 . . . . 72.2 111.949 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.3 tt -93.84 -39.85 10.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.334 -0.394 . . . . 75.13 111.036 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.1 pp 44.52 112.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 124.986 1.314 . . . . 42.53 114.119 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.1 p -125.14 143.5 50.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.579 -0.737 . . . . 74.35 111.024 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -109.66 149.6 29.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.984 -0.553 . . . . 72.22 110.999 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.85 140.09 50.2 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.844 -0.616 . . . . 63.32 110.98 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.83 147.31 37.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.902 -0.59 . . . . 74.13 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -108.62 150.19 27.86 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.846 -0.616 . . . . 73.5 110.885 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.3 p -98.4 -52.74 3.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.065 -0.516 . . . . 73.42 111.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 61.47 125.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.926 0.891 . . . . 53.12 112.115 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--O 1.237 0.397 0 CA-C-N 115.858 -0.61 . . . . 72.15 110.539 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 110.513 -0.18 . . . . 75.44 110.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 49.9 t -62.63 129.52 40.93 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.535 0.569 . . . . 74.54 112.535 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.23 69.55 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.862 -1.063 . . . . 62.14 112.833 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -92.84 -53.71 4.05 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.266 0.354 . . . . 73.32 111.546 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 3.2 p -106.85 160.95 15.12 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.177 0.298 . . . . 65.02 110.747 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.62 55.41 3.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.315 0.579 . . . . 63.35 110.718 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.606 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 89.0 mttt -120.81 129.57 53.62 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.512 -0.767 . . . . 72.21 110.929 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.57 132.66 49.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.945 -0.57 . . . . 73.24 111.49 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.1 mt -74.2 129.91 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.026 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' H ' ' CG ' ' A' ' 22' ' ' GLU . 26.3 mmt180 -130.61 -174.41 3.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.174 -0.467 . . . . 73.25 111.894 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' MET . . . -56.37 -45.41 80.53 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.372 0.878 . . . . 73.32 113.372 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -71.81 -32.51 67.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.753 0.311 . . . . 62.12 110.604 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.662 ' O ' HD23 ' A' ' 34' ' ' LEU . 5.5 mm-40 -60.11 -34.14 73.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.469 -0.787 . . . . 64.3 112.553 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 73.6 mtm 33.88 104.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.481 1.112 . . . . 73.45 113.218 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 p -123.34 139.82 53.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 74.24 112.0 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 27' ' ' VAL . 2.0 ppp? -95.58 167.67 11.16 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.187 -0.915 . . . . 73.33 110.81 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.11 110.93 18.87 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.925 0.393 . . . . 74.14 111.127 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 25' ' ' MET . 1.6 t -96.96 -178.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.572 -0.74 . . . . 61.35 109.562 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.626 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.8 mttt -52.8 -69.66 0.11 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.728 0.64 . . . . 71.52 112.728 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.83 -42.44 2.51 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.051 0.389 . . . . 64.13 112.051 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.6 mttt -112.26 143.18 43.76 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.348 0.405 . . . . 74.21 111.952 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.3 t -101.01 145.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 115.678 -0.692 . . . . 70.13 109.2 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -133.55 152.22 51.86 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.285 0.476 . . . . 73.03 112.285 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.603 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m170 -65.66 159.29 25.21 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.387 -0.824 . . . . 71.24 112.212 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.1 pp -66.1 -47.87 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 110.314 -0.254 . . . . 74.42 110.314 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.49 -32.98 74.88 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.522 . . . . 72.11 111.46 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.9 m -84.08 -4.0 58.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.921 -0.581 . . . . 50.41 111.647 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 22.3 t80 -94.62 60.18 2.54 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.491 0.663 . . . . 74.33 109.794 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.9 mttt -120.14 164.13 16.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.149 -0.932 . . . . 61.52 111.326 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 31.0 t -65.99 147.08 53.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.821 0.448 . . . . 74.45 111.873 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.88 -5.02 57.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.996 -0.547 . . . . 44.53 111.268 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.78 -40.93 3.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.836 -0.62 . . . . 62.42 111.672 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 m -105.77 -19.03 13.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.388 0.43 . . . . 72.25 111.906 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 mp0 69.41 2.51 3.75 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.073 0.949 . . . . 74.42 112.031 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -66.32 163.82 17.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.133 0.573 . . . . 63.34 111.231 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -94.81 152.41 18.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.291 -0.413 . . . . 71.44 111.374 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.55 145.4 29.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.514 -0.766 . . . . 74.55 111.139 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.7 t -120.77 159.43 25.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.259 -0.882 . . . . 65.21 110.989 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 88' ' ' VAL . 4.0 m -65.77 143.18 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.086 -0.506 . . . . 73.4 112.253 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -33.65 6.15 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 123.616 0.572 . . . . 64.22 113.197 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.02 148.64 22.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.316 0.246 . . . . 71.24 111.377 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.23 143.43 31.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.751 -0.659 . . . . 74.23 111.011 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -130.81 155.21 47.08 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.304 0.377 . . . . 65.34 111.713 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.4 tp -111.5 132.52 54.44 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.7 -0.682 . . . . 63.11 109.651 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -95.93 111.24 23.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.912 -0.585 . . . . 55.3 110.297 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.23 175.98 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.763 -0.653 . . . . 70.24 110.786 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -48.06 -35.09 10.57 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.797 1.036 . . . . 75.13 113.797 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.495 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.2 m -120.15 -56.13 2.02 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.867 0.692 . . . . 70.43 112.867 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.6 m-20 -120.23 -162.33 0.93 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.007 0.373 . . . . 75.52 112.007 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -109.93 143.36 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.932 0.493 . . . . 73.24 109.827 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 6.0 t -120.35 126.33 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 123.488 0.493 . . . . 72.23 110.024 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.3 158.59 25.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.107 -0.497 . . . . 72.41 112.175 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.59 -18.21 28.2 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.299 0.851 . . . . 74.23 113.299 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -65.74 -52.25 52.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.286 0.476 . . . . 75.13 112.286 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.66 15.34 22.05 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.049 0.388 . . . . 42.3 112.049 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.46 -47.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.123 0.569 . . . . 73.54 112.392 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.42 -51.67 58.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.921 0.488 . . . . 70.12 111.879 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.64 ' O ' HD12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -64.39 -45.05 89.32 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.615 0.598 . . . . 63.44 112.615 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 52.9 t-105 -60.94 -45.81 93.2 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.557 0.343 . . . . 73.13 111.807 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 p -67.03 -28.79 68.52 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 70.34 111.178 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.46 -43.5 94.05 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.058 -0.974 . . . . 73.44 111.985 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 67' ' ' GLU . 2.8 mp -84.86 -47.4 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.382 0.426 . . . . 74.41 111.834 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -74.68 -29.85 61.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.896 0.702 . . . . 73.23 112.896 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.602 0 C-N-CA 121.282 -0.485 . . . . 72.21 112.543 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.467 0.175 . . . . 73.24 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.54 143.62 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 115.893 -0.594 . . . . 64.22 109.886 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.1 mtt -120.11 152.79 37.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.944 -0.571 . . . . 73.44 111.621 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.74 152.81 3.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.603 -0.726 . . . . 61.23 110.411 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -65.33 112.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.264 -0.425 . . . . 74.03 110.907 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.86 144.18 46.3 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 115.596 -0.729 . . . . 65.22 113.789 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.05 114.57 17.14 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.947 0.499 . . . . 70.12 111.453 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.62 151.76 83.54 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.564 2.176 . . . . 72.51 112.95 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.5 p -120.04 118.27 30.18 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.98 -0.555 . . . . 74.13 111.245 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -65.89 146.77 54.34 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.853 -0.612 . . . . 74.54 111.598 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.495 ' N ' HD23 ' A' ' 93' ' ' LEU . 88.6 mtp -65.53 -44.45 86.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.116 -0.493 . . . . 54.23 112.259 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.47 ' H ' HD23 ' A' ' 93' ' ' LEU . . . 110.75 77.09 0.88 Allowed Glycine 0 C--N 1.34 0.751 0 O-C-N 123.453 0.471 . . . . 64.12 112.542 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.97 112.84 0.94 Allowed Glycine 0 C--N 1.338 0.668 0 C-N-CA 121.413 -0.423 . . . . 74.41 112.492 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.85 23.85 6.14 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.932 0.396 . . . . 65.14 111.35 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -101.05 98.4 8.85 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.884 -0.598 . . . . 72.24 110.834 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.93 76.55 0.11 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.43 -0.805 . . . . 61.51 112.525 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.26 10.53 15.98 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.71 0.29 . . . . 72.42 111.469 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 -41.32 13.19 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.072 -0.513 . . . . 62.44 111.784 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.57 -20.76 30.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.146 -0.479 . . . . 61.45 112.177 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -87.08 -25.12 24.33 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.97 0.359 . . . . 75.34 111.97 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.08 -14.58 27.11 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.182 0.438 . . . . 72.2 112.182 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.57 -66.46 0.91 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.084 0.24 . . . . 75.13 111.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.9 pp -150.38 136.11 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.445 0.298 . . . . 42.53 111.509 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -129.42 117.88 21.26 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.877 -0.601 . . . . 74.35 110.906 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -132.93 147.92 52.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.867 -0.606 . . . . 72.22 110.685 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 pp -130.54 140.61 50.48 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.816 -0.629 . . . . 63.32 110.987 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -128.48 146.62 50.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.051 -0.522 . . . . 74.13 110.962 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 62.87 125.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.935 0.894 . . . . 73.5 112.134 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -106.12 140.69 38.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.828 -0.623 . . . . 73.42 111.02 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -128.11 146.2 50.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.965 -0.561 . . . . 53.12 110.937 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.235 0.296 0 CA-C-N 115.808 -0.633 . . . . 72.15 110.996 179.888 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 111.265 0.098 . . . . 75.44 111.265 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 38.6 t -68.88 134.36 49.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.135 0.493 . . . . 74.54 112.307 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.02 -34.72 78.74 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.93 -1.032 . . . . 62.14 112.694 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 t -89.56 -53.72 4.4 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.351 0.407 . . . . 73.32 111.511 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.6 p -102.41 154.53 18.99 Favored 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.177 0.298 . . . . 65.02 110.66 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.38 52.21 2.3 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.356 0.598 . . . . 63.35 110.796 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -120.79 133.16 55.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.508 -0.769 . . . . 72.21 110.226 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -65.26 128.4 35.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.4 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 22' ' ' GLU . 11.3 mt -71.96 98.66 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.222 0.534 . . . . 73.32 109.861 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' TYR . 77.7 mtp180 -148.39 152.79 37.62 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.226 -0.897 . . . . 73.25 111.391 -178.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 46.64 -73.23 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.796 1.238 . . . . 73.32 113.964 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.513 ' HD1' ' O ' ' A' ' 21' ' ' TYR . 1.2 t80 -84.66 27.73 0.71 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.553 0.692 . . . . 62.12 111.183 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -64.87 -63.99 0.98 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.6 -0.727 . . . . 64.3 111.404 178.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.467 ' O ' HD11 ' A' ' 34' ' ' LEU . 62.9 mtt 36.85 46.89 0.52 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.467 1.107 . . . . 73.45 112.927 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 t -119.34 165.93 13.68 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.544 -0.753 . . . . 74.24 111.689 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.471 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -110.44 165.41 11.81 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.353 -0.839 . . . . 73.33 110.731 178.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -85.03 118.0 24.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.821 0.343 . . . . 74.14 111.577 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.707 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.4 t -94.85 -178.86 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.413 -0.812 . . . . 61.35 109.461 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.707 ' H ' HG12 ' A' ' 27' ' ' VAL . 62.1 mttm -44.85 -64.57 0.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.972 1.101 . . . . 71.52 113.972 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.44 -43.2 2.51 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.492 0.553 . . . . 64.13 112.492 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 68.1 mttt -117.47 156.23 28.35 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.248 0.342 . . . . 74.21 111.842 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 25' ' ' MET . 4.3 t -105.82 147.55 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.8 -0.636 . . . . 70.13 109.817 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -130.5 141.06 50.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.155 -0.475 . . . . 73.03 111.456 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.715 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.2 m80 -65.74 164.96 13.54 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.807 0.443 . . . . 71.24 110.837 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 23' ' ' MET . 4.7 mp -65.14 -49.73 68.74 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.705 0.288 . . . . 74.42 110.522 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.4 -26.0 67.04 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.675 -0.693 . . . . 72.11 111.513 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.715 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -90.12 -7.69 53.11 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.756 -0.656 . . . . 50.41 111.841 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -91.11 55.71 2.95 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.38 0.61 . . . . 74.33 110.674 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.11 160.41 23.76 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.308 -0.86 . . . . 61.52 111.669 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.4 t -66.26 146.96 54.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.905 -0.588 . . . . 74.45 111.555 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -5.78 38.47 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.041 -0.527 . . . . 44.53 111.974 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.29 -50.02 3.58 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.853 0.316 . . . . 62.42 111.853 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.6 p -108.48 -4.65 17.09 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.196 0.31 . . . . 72.25 111.663 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.538 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.4 mm-40 65.09 11.1 6.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.195 0.998 . . . . 74.42 113.069 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.56 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 33.9 tttp -66.07 161.72 21.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.607 0.363 . . . . 63.34 111.305 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -101.65 150.97 22.56 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.939 -0.573 . . . . 71.44 110.888 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -104.34 138.43 40.78 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.665 -0.698 . . . . 74.55 110.9 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -120.54 164.42 16.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.455 -0.793 . . . . 65.21 110.861 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.51 137.33 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.831 0.452 . . . . 73.4 112.125 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -29.42 10.26 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 115.847 -0.615 . . . . 64.22 113.066 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -93.05 152.13 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.412 0.285 . . . . 71.24 111.143 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 12.2 ptp180 -88.22 135.84 33.26 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.921 -0.581 . . . . 74.23 111.613 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -123.41 153.47 40.37 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.941 -0.572 . . . . 65.34 111.237 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 tt -116.05 126.89 54.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.579 -0.737 . . . . 63.11 109.747 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -88.82 113.31 24.24 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.893 -0.594 . . . . 55.3 110.884 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.38 176.23 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 115.712 -0.676 . . . . 70.24 110.666 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -47.87 -34.65 9.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.9 1.074 . . . . 75.13 113.9 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.501 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.6 m -120.1 -57.49 1.94 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.965 0.728 . . . . 70.43 112.965 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.4 m-20 -120.26 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.08 0.4 . . . . 75.52 112.08 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -106.23 137.1 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 122.856 0.463 . . . . 73.24 109.859 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 68' ' ' TRP . 15.8 t -120.83 126.73 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.099 -0.5 . . . . 72.23 110.417 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.19 160.14 22.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.851 -0.613 . . . . 72.41 111.858 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.648 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.6 tt0 -63.84 -19.86 65.36 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.66 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -67.1 -42.27 84.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.268 -0.424 . . . . 75.13 111.762 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.64 7.09 22.21 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.628 0.603 . . . . 42.3 112.628 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.43 -54.53 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.219 0.822 . . . . 73.54 113.219 -178.497 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.3 t80 -58.05 -53.68 55.54 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.728 0.64 . . . . 70.12 112.728 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.14 -39.87 93.61 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.698 0.629 . . . . 63.44 112.698 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.503 ' CD1' HG21 ' A' ' 60' ' ' VAL . 56.3 t-105 -65.38 -49.41 69.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.565 0.346 . . . . 73.13 111.444 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -64.13 -29.12 70.27 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.093 0.473 . . . . 70.34 111.08 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 45.2 tttt -65.11 -42.62 93.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.039 -0.982 . . . . 73.44 111.901 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.9 mm -84.64 -46.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 115.768 -0.651 . . . . 74.41 111.865 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.39 -29.99 53.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.76 0.652 . . . . 73.23 112.76 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.584 0 C-N-CA 121.365 -0.445 . . . . 72.21 112.624 -179.854 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.234 0.271 0 CA-C-O 120.542 0.21 . . . . 73.24 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -124.72 139.34 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 115.914 -0.585 . . . . 64.22 109.953 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.593 ' SD ' ' HE2' ' A' ' 28' ' ' LYS . 86.8 mtp -120.08 153.31 36.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.865 -0.607 . . . . 73.44 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -91.46 153.03 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.829 -0.623 . . . . 61.23 110.371 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.1 110.34 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 116.156 -0.474 . . . . 74.03 110.786 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.09 150.62 51.9 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 115.646 -0.706 . . . . 65.22 113.767 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.84 120.03 65.7 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.001 0.52 . . . . 70.12 111.664 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.426 ' HB3' ' O ' ' A' ' 23' ' ' MET . 14.7 Cg_exo -69.8 150.56 68.16 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 72.51 112.916 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.25 111.73 18.16 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.595 0.559 . . . . 74.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -66.03 125.17 24.61 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.871 -0.604 . . . . 74.54 112.08 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 64.5 mtt 40.73 -83.03 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.844 1.258 . . . . 54.23 113.87 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.35 -53.63 0.13 Allowed Glycine 0 C--N 1.343 0.933 0 C-N-CA 121.59 -0.338 . . . . 64.12 112.482 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.6 120.16 1.53 Allowed Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.544 -0.36 . . . . 74.41 112.456 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.76 149.86 24.61 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.617 0.245 . . . . 65.14 111.216 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -106.5 -43.63 4.7 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.87 -0.605 . . . . 72.24 111.194 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.03 -98.55 1.11 Allowed Glycine 0 C--N 1.341 0.83 0 O-C-N 123.402 0.439 . . . . 61.51 112.671 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 9.6 m-20 59.8 103.83 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.876 0.871 . . . . 72.42 111.812 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -88.23 -18.96 27.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.483 -0.781 . . . . 62.44 112.163 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.54 -21.79 30.35 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.299 0.481 . . . . 61.45 112.299 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.2 -35.23 18.68 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.013 0.375 . . . . 75.34 112.013 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.0 ptm180 -86.45 -10.54 53.99 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.508 0.559 . . . . 72.2 112.508 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 1.6 tt -95.6 -46.49 6.62 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.085 0.241 . . . . 75.13 111.109 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.9 pp -143.41 130.63 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.295 0.372 . . . . 42.53 111.348 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.2 t -146.49 127.11 14.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.834 -0.621 . . . . 74.35 110.923 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -131.88 124.35 29.34 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.833 -0.621 . . . . 72.22 110.847 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.98 151.38 51.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.76 -0.654 . . . . 63.32 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -97.76 139.45 33.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.861 -0.609 . . . . 74.13 110.852 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 45.35 104.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.769 1.228 . . . . 73.5 113.33 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -114.07 153.5 29.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.643 -0.708 . . . . 73.42 111.238 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 63.13 126.28 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.965 0.906 . . . . 53.12 112.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--O 1.235 0.318 0 CA-C-N 115.721 -0.672 . . . . 72.15 110.424 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 16' ' ' LYS . 2.5 mp . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 111.985 0.365 . . . . 75.44 111.985 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 49.6 t -76.17 119.1 19.62 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 121.054 0.454 . . . . 74.54 110.424 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.585 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.67 -15.85 63.18 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.543 0.942 . . . . 62.14 113.543 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -97.62 -39.02 9.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.989 0.366 . . . . 73.32 111.989 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.3 m -92.8 -23.79 18.74 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.254 0.465 . . . . 65.02 112.254 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.78 30.24 16.71 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.574 0.702 . . . . 63.35 110.079 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' C ' HD23 ' A' ' 10' ' ' LEU . 68.6 mmtt -113.05 153.43 28.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.859 -1.064 . . . . 72.21 110.802 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -65.51 115.23 5.52 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.886 -0.597 . . . . 73.24 111.077 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.2 mt -74.43 97.32 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.261 -0.644 . . . . 73.32 109.261 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -148.34 179.8 7.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.85 -1.068 . . . . 73.25 111.844 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 53.25 -80.72 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.844 1.258 . . . . 73.32 113.874 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.0 t80 -75.98 -56.14 4.94 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 122.499 0.32 . . . . 62.12 110.683 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 28.66 -83.21 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.179 1.392 . . . . 64.3 114.741 179.133 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.9 mtt 49.11 48.92 20.34 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.018 0.927 . . . . 73.45 111.747 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.486 HG21 ' O ' ' A' ' 32' ' ' TYR . 21.6 p -126.02 164.0 21.8 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.485 -0.779 . . . . 74.24 112.297 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -96.83 169.15 10.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.388 -0.824 . . . . 73.33 110.616 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -87.98 120.08 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.76 0.315 . . . . 74.14 111.192 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.64 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.7 t -93.45 -179.26 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.692 -0.685 . . . . 61.35 109.542 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.64 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.0 mttt -53.74 -69.95 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.042 0.756 . . . . 71.52 113.042 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.65 -40.78 2.62 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.091 0.404 . . . . 64.13 112.091 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.8 mttt -107.15 136.6 46.72 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.409 0.443 . . . . 74.21 111.994 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 17.3 t -104.46 144.42 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.97 -0.752 . . . . 70.13 108.97 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 23.6 m-85 -132.82 151.47 52.01 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.236 -0.438 . . . . 73.03 111.15 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.886 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 47.1 m80 -65.49 161.33 20.29 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.674 0.39 . . . . 71.24 110.464 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -61.56 -45.23 95.03 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 111.563 0.208 . . . . 74.42 111.563 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.25 -21.75 66.3 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.284 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.886 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 5.5 m -91.8 -6.34 51.91 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.626 -0.715 . . . . 50.41 111.691 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.85 55.56 2.43 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.478 0.656 . . . . 74.33 110.071 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -120.85 160.66 22.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.165 -0.925 . . . . 61.52 111.627 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 38.1 t -66.11 147.08 53.88 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.194 0.598 . . . . 74.45 111.688 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.75 -7.98 32.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.018 -0.537 . . . . 44.53 111.941 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.98 -48.62 4.6 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.958 0.355 . . . . 62.42 111.958 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 24.5 p -113.39 -2.58 13.93 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.187 0.304 . . . . 72.25 111.809 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.552 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.3 mm-40 64.86 12.82 8.07 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.098 0.959 . . . . 74.42 113.095 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.8 tttt -65.99 162.54 19.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.593 0.357 . . . . 63.34 111.378 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.9 152.74 19.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.988 -0.551 . . . . 71.44 111.104 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -105.15 143.24 33.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.723 -0.671 . . . . 74.55 111.073 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 m -120.76 160.47 23.29 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.396 -0.82 . . . . 65.21 111.259 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.8 133.69 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 116.053 -0.521 . . . . 73.4 112.339 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.06 -23.05 26.29 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.997 -0.547 . . . . 64.22 113.515 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -94.26 150.66 20.09 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.761 0.281 . . . . 71.24 111.346 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.67 139.43 31.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.853 -0.612 . . . . 74.23 110.917 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -132.36 156.28 46.9 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.421 0.451 . . . . 65.34 111.795 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.62 127.45 55.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.572 -0.74 . . . . 63.11 109.418 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.76 114.83 27.48 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.981 -0.554 . . . . 55.3 110.543 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -90.44 176.22 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.691 -0.686 . . . . 70.24 110.73 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -47.96 -34.53 9.33 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.813 1.042 . . . . 75.13 113.813 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.479 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.0 m -120.11 -56.62 1.99 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.916 0.71 . . . . 70.43 112.916 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.2 m-20 -120.28 -163.49 1.01 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.058 0.392 . . . . 75.52 112.058 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.1 mp -109.93 143.79 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 122.723 0.409 . . . . 73.24 110.097 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 68' ' ' TRP . 11.0 t -120.2 128.92 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.926 -0.579 . . . . 72.23 109.903 179.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.19 159.44 23.59 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.917 -0.583 . . . . 72.41 112.222 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.5 mt-10 -60.57 -22.8 64.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.005 -0.543 . . . . 74.23 111.746 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.05 -41.48 86.43 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.209 -0.45 . . . . 75.13 111.766 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -110.36 5.53 21.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.484 0.549 . . . . 42.3 112.484 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.72 -52.69 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 113.225 0.824 . . . . 73.54 113.225 -178.294 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 59.9 t80 -62.05 -52.26 64.66 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.599 0.592 . . . . 70.12 112.599 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.566 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.11 -40.08 94.02 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.868 0.692 . . . . 63.44 112.868 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.535 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.5 t-105 -65.44 -52.41 53.36 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.572 0.349 . . . . 73.13 111.452 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 p -61.53 -29.16 69.82 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.147 0.499 . . . . 70.34 111.292 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 7.1 tptp -65.08 -39.3 93.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.213 -0.903 . . . . 73.44 112.489 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.8 mm -84.5 -47.58 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 74.41 113.144 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -97.81 -30.13 12.95 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.548 0.944 . . . . 73.23 113.548 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.547 0 C-N-CA 121.061 -0.59 . . . . 72.21 112.933 -179.589 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.66 0.267 . . . . 73.24 110.789 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -128.48 150.66 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.813 -0.631 . . . . 64.22 109.937 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.6 mmt -116.15 146.1 42.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 73.44 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.62 147.92 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.812 -0.631 . . . . 61.23 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.6 t -65.51 111.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 116.113 -0.494 . . . . 74.03 110.917 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.94 156.96 49.17 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.786 -0.643 . . . . 65.22 113.582 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.81 137.62 96.21 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-O 119.099 -0.477 . . . . 70.12 111.577 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.68 153.87 43.78 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.45 2.1 . . . . 72.51 112.776 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 p -115.13 124.62 51.96 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.858 -0.61 . . . . 74.13 110.884 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.61 123.9 20.93 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.972 -0.558 . . . . 74.54 111.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -43.41 88.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.893 -0.594 . . . . 54.23 111.855 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.14 -91.96 0.09 OUTLIER Glycine 0 C--N 1.34 0.791 0 O-C-N 123.469 0.481 . . . . 64.12 112.466 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.24 -146.98 6.56 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.417 -0.42 . . . . 74.41 112.555 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.76 152.08 20.92 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.338 0.255 . . . . 65.14 110.94 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.85 -43.6 7.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.895 -0.593 . . . . 72.24 111.281 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.23 -136.35 12.56 Favored Glycine 0 C--N 1.34 0.759 0 O-C-N 123.347 0.404 . . . . 61.51 112.708 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.5 m-20 -142.55 94.05 2.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.214 0.531 . . . . 72.42 110.168 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.4 ' HG2' HH21 ' A' ' 104' ' ' ARG . 42.9 mt-10 -83.44 -18.71 37.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.226 -0.897 . . . . 62.44 112.221 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -83.1 -22.3 33.45 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.131 0.419 . . . . 61.45 112.131 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -87.2 -37.84 16.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.475 0.31 . . . . 75.34 111.763 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 38.0 ptt180 -87.04 13.47 9.2 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.08 0.4 . . . . 72.2 112.08 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -82.02 -39.35 23.66 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.212 -0.449 . . . . 75.13 111.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -96.41 113.88 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.416 0.447 . . . . 42.53 111.254 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -140.5 152.3 45.49 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.877 -0.601 . . . . 74.35 111.172 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -108.13 146.47 32.63 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.814 -0.63 . . . . 72.22 110.511 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.17 141.24 35.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.984 -0.553 . . . . 63.32 110.915 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -116.81 149.79 39.41 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.887 -0.597 . . . . 74.13 110.806 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.04 130.81 47.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.904 -0.589 . . . . 73.5 110.807 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -106.09 146.51 30.07 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.864 -0.607 . . . . 73.42 111.175 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -106.06 147.37 29.0 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 53.12 110.828 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 72.15 110.607 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.509 0.195 . . . . 74.15 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.35 133.99 43.95 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.895 -0.593 . . . . 73.21 110.797 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -65.79 150.81 47.94 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.939 -0.573 . . . . 71.34 112.258 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mp -128.63 151.17 49.8 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.877 -0.601 . . . . 73.23 110.841 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -99.31 128.28 45.41 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.889 -0.596 . . . . 72.22 110.839 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.58 -140.69 15.03 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.866 -0.606 . . . . 72.24 112.512 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 42.5 mt-30 -115.25 156.47 25.33 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.811 0.339 . . . . 74.33 111.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -98.15 -12.59 21.58 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.505 -0.771 . . . . 71.04 111.6 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.519 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -92.95 80.6 1.1 Allowed Glycine 0 C--N 1.341 0.853 0 C-N-CA 121.387 -0.435 . . . . 63.22 113.028 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mp -73.89 158.79 33.83 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.934 0.494 . . . . 75.44 111.466 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 47.6 t -80.98 105.42 12.19 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 121.352 0.596 . . . . 74.54 110.705 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.95 -8.27 21.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.118 . . . . 62.14 114.02 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.1 t -91.71 -50.87 5.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.754 0.279 . . . . 73.32 111.754 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 p -101.41 -2.5 30.71 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.823 0.305 . . . . 65.02 111.823 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 55.66 44.57 26.23 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.909 0.883 . . . . 63.35 111.867 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.32 149.53 42.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.5 -0.773 . . . . 72.21 110.156 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -65.39 124.9 23.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.701 -0.681 . . . . 73.24 112.015 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.526 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 30.8 mt -87.72 98.37 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.919 -0.771 . . . . 73.32 108.919 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.4 tmt_? -147.84 159.72 43.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.415 -0.811 . . . . 73.25 111.951 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.34 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.978 1.311 . . . . 73.32 114.36 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.496 ' O ' ' HG3' ' A' ' 23' ' ' MET . 11.9 t80 -68.94 -63.42 1.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.566 0.347 . . . . 62.12 111.359 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 34.28 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.9 1.28 . . . . 64.3 114.271 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.576 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 66.0 mtt 50.81 55.82 8.95 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.93 0.892 . . . . 73.45 111.557 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 32' ' ' TYR . 24.5 p -132.74 165.51 24.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.209 -0.905 . . . . 74.24 112.065 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.512 ' SD ' ' HA3' ' A' ' 89' ' ' GLY . 21.1 ttp -93.45 160.06 14.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.409 -0.814 . . . . 73.33 110.054 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' N ' ' HG2' ' A' ' 25' ' ' MET . 38.5 ttt180 -84.71 115.62 22.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.192 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -87.51 -179.22 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 115.71 -0.677 . . . . 61.35 110.293 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.621 ' H ' HG12 ' A' ' 27' ' ' VAL . 65.7 mttm -51.19 -67.38 0.26 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.475 0.917 . . . . 71.52 113.475 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -120.53 -42.87 2.52 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.121 0.415 . . . . 64.13 112.121 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 72.1 mttt -108.14 144.62 35.29 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.259 0.35 . . . . 74.21 111.896 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 4.9 t -105.47 143.19 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.646 -0.706 . . . . 70.13 109.195 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 33.1 m-85 -134.23 152.16 51.68 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.337 0.398 . . . . 73.03 111.458 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.739 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 38.1 m80 -65.65 159.72 24.24 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.132 0.573 . . . . 71.24 111.436 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.39 -44.32 87.91 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.135 0.272 . . . . 74.42 110.802 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.11 -28.04 68.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.872 -0.604 . . . . 72.11 111.024 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -88.05 -3.26 58.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.463 -0.79 . . . . 50.41 111.424 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -85.85 62.1 7.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.475 0.655 . . . . 74.33 110.066 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.4 mttt -120.26 162.9 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.228 -0.896 . . . . 61.52 111.496 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 8.9 t -66.16 147.5 53.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.918 -0.583 . . . . 74.45 111.978 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 58' ' ' ASP . . . -82.9 -18.63 39.51 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.544 0.572 . . . . 44.53 112.544 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -108.13 -43.75 4.32 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.19 0.441 . . . . 62.42 112.19 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -95.39 -19.99 19.47 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.331 0.394 . . . . 72.25 111.89 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 67.36 2.0 2.69 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.054 0.941 . . . . 74.42 112.357 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -66.16 162.98 18.63 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.223 0.609 . . . . 63.34 111.494 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -97.51 148.3 23.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.04 -0.527 . . . . 71.44 111.119 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -98.7 153.11 18.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.695 -0.684 . . . . 74.55 110.814 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.6 p -120.55 157.64 29.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.438 -0.801 . . . . 65.21 111.199 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.63 132.58 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.045 -0.525 . . . . 73.4 112.004 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -16.02 36.49 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.583 0.552 . . . . 64.22 113.205 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.62 150.67 21.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.336 0.255 . . . . 71.24 110.946 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.16 131.84 34.56 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -121.41 154.73 36.13 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.504 0.503 . . . . 65.34 111.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.61 126.34 51.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.583 -0.735 . . . . 63.11 109.594 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 tt -87.63 113.42 23.3 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.856 -0.611 . . . . 55.3 110.726 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -90.5 176.32 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.427 -0.806 . . . . 70.24 110.755 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -47.94 -35.68 11.12 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.795 1.035 . . . . 75.13 113.795 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.507 ' H ' HG23 ' A' ' 55' ' ' ILE . 54.0 p -109.3 -69.84 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.284 0.476 . . . . 70.43 112.284 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.9 m-20 -120.37 -161.12 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.242 0.217 . . . . 75.52 111.403 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -92.16 138.68 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.605 0.362 . . . . 73.24 110.266 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.535 HG13 ' OD2' ' A' ' 64' ' ' ASP . 88.5 t -120.52 116.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.864 -0.607 . . . . 72.23 110.377 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 p -66.26 158.72 28.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.31 -0.404 . . . . 72.41 111.912 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.593 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.83 -17.96 28.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.419 0.896 . . . . 74.23 113.419 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -65.86 -45.09 83.43 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.793 0.664 . . . . 75.13 112.793 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.535 ' OD2' HG13 ' A' ' 60' ' ' VAL . 10.9 p-10 -110.83 5.12 20.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.03 0.752 . . . . 42.3 113.03 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -53.7 -49.94 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 113.028 0.751 . . . . 73.54 113.028 -178.337 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.531 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 54.5 t80 -61.61 -53.81 51.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.062 0.393 . . . . 70.12 112.062 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.7 mt-10 -65.39 -38.05 88.84 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.013 0.746 . . . . 63.44 113.013 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.515 ' HE1' HG12 ' A' ' 55' ' ' ILE . 56.1 t-105 -65.35 -53.41 43.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.727 0.411 . . . . 73.13 111.711 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -64.69 -29.6 70.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.765 0.426 . . . . 70.34 111.722 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 36.4 tttp -65.39 -37.43 86.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.368 -0.833 . . . . 73.44 112.684 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 67' ' ' GLU . 30.0 mm -83.97 -47.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.492 0.553 . . . . 74.41 112.492 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -94.76 5.42 51.93 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.912 0.708 . . . . 73.23 112.912 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.09 -98.43 1.6 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.2 -0.524 . . . . 72.21 112.503 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.6 -126.36 7.1 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 121.419 -0.419 . . . . 61.03 112.506 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.6 m -128.36 145.05 51.19 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.674 0.279 . . . . 52.4 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 154.15 113.25 0.49 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.819 -0.628 . . . . 63.22 112.462 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.45 75.02 0.21 Allowed Glycine 0 C--N 1.337 0.613 0 C-N-CA 121.45 -0.405 . . . . 75.05 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -127.8 131.64 49.56 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.611 0.242 . . . . 62.24 110.959 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.14 -132.76 4.64 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.865 -0.607 . . . . 42.13 112.508 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -150.59 78.14 0.22 Allowed Glycine 0 C--N 1.336 0.562 0 C-N-CA 121.455 -0.403 . . . . 70.3 112.526 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.5 m 62.75 125.9 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.946 0.898 . . . . 75.44 112.088 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.82 110.47 0.44 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.791 -0.64 . . . . 73.23 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 171.11 54.19 0.04 OUTLIER Glycine 0 C--N 1.336 0.568 0 C-N-CA 121.479 -0.391 . . . . 72.21 112.567 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.39 146.24 51.28 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.628 0.252 . . . . 73.24 110.83 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.64 145.83 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 115.93 -0.577 . . . . 64.22 109.922 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -119.57 147.93 43.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.698 -0.683 . . . . 73.44 111.213 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.85 145.17 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.741 -0.663 . . . . 61.23 110.318 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.55 109.31 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-O 120.946 0.403 . . . . 74.03 111.196 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.512 ' HA3' ' SD ' ' A' ' 25' ' ' MET . . . -67.39 150.13 51.41 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.421 -0.809 . . . . 65.22 113.666 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.2 155.73 86.82 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.117 -0.468 . . . . 70.12 111.148 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.0 Cg_endo -81.56 133.88 8.5 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.337 2.025 . . . . 72.51 112.708 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -115.44 117.73 31.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.972 -0.558 . . . . 74.13 111.04 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -65.89 126.54 28.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.771 -0.65 . . . . 74.54 112.184 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 20.5 mmt -65.94 -17.77 64.89 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.843 0.683 . . . . 54.23 112.843 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.43 77.62 2.0 Allowed Glycine 0 C--N 1.342 0.895 0 O-C-N 123.318 0.387 . . . . 64.12 112.967 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.32 111.04 0.49 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.609 -0.329 . . . . 74.41 112.318 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.52 124.18 43.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.664 0.268 . . . . 65.14 111.017 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -124.99 82.97 2.11 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 115.71 -0.677 . . . . 72.24 110.522 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.21 164.15 25.91 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.08 -0.964 . . . . 61.51 112.543 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -128.86 82.66 2.1 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.306 0.574 . . . . 72.42 110.939 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -88.39 -18.88 27.43 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.35 -0.841 . . . . 62.44 112.098 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.78 -31.79 25.72 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.15 0.426 . . . . 61.45 112.15 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.26 -8.78 58.93 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.003 0.371 . . . . 75.34 112.003 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -92.43 -28.88 16.58 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.38 -0.373 . . . . 72.2 111.546 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.72 -42.85 8.93 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.328 0.392 . . . . 75.13 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.414 ' O ' HD12 ' A' ' 106' ' ' ILE . 2.1 pp -130.94 135.59 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.317 -0.401 . . . . 42.53 111.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.6 p -99.3 115.96 30.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.957 -0.565 . . . . 74.35 111.216 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.26 144.13 42.56 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.725 -0.671 . . . . 72.22 110.6 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.65 140.4 34.98 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.989 -0.55 . . . . 63.32 110.956 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -137.84 146.94 44.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.8 -0.636 . . . . 74.13 110.806 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -109.31 124.72 51.41 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.896 -0.593 . . . . 73.5 110.77 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -120.11 146.44 45.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.902 -0.59 . . . . 73.42 111.153 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -128.71 126.56 40.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.819 -0.628 . . . . 53.12 110.404 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -128.75 140.75 51.57 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.891 -0.595 . . . . 72.15 110.522 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -107.27 130.15 54.79 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.874 -0.603 . . . . 75.03 110.891 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -114.33 143.02 45.56 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.882 -0.599 . . . . 71.34 111.074 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.08 -41.68 7.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.838 -0.619 . . . . 72.43 111.455 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 63.25 126.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.02 0.928 . . . . 73.4 112.021 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.19 135.62 1.87 Allowed Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.808 -0.633 . . . . 71.42 112.494 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -107.84 154.23 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 O-C-N 123.658 0.269 . . . . 71.42 111.358 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.05 140.01 33.84 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.801 -0.636 . . . . 74.34 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -121.55 -42.18 2.45 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.858 -0.61 . . . . 75.0 111.252 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.091 -0.957 . . . . 75.3 110.521 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.512 0.196 . . . . 74.15 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.66 128.85 54.92 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.923 -0.58 . . . . 73.21 110.823 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -65.77 131.49 46.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 115.861 -0.609 . . . . 71.34 112.124 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.6 mt -128.53 -44.66 1.36 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.805 -0.634 . . . . 73.23 111.044 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -132.47 128.9 38.4 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 123.385 0.428 . . . . 72.22 110.746 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.69 175.47 30.97 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.923 -0.581 . . . . 72.24 112.659 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.569 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -112.12 152.7 27.98 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.844 0.354 . . . . 74.33 111.37 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.68 -11.34 20.98 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.399 -0.819 . . . . 71.04 111.165 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.44 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -92.36 83.45 1.16 Allowed Glycine 0 C--N 1.34 0.797 0 O-C-N 123.518 0.511 . . . . 63.22 112.93 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp -71.92 158.67 35.6 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.085 0.554 . . . . 75.44 111.448 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.24 110.35 16.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.293 0.568 . . . . 74.54 111.352 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.24 -9.87 36.51 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.843 1.053 . . . . 62.14 113.843 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 t -91.79 -53.86 4.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.988 0.366 . . . . 73.32 111.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.7 p -98.1 -2.49 39.96 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.965 0.357 . . . . 65.02 111.965 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 54.52 43.35 30.44 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.834 0.854 . . . . 63.35 111.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -120.26 151.05 39.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.448 -0.796 . . . . 72.21 110.547 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -65.61 120.98 13.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.815 -0.629 . . . . 73.24 112.011 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 25.7 mt -80.46 98.41 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 115.88 -0.6 . . . . 73.32 109.587 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.456 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 98.9 mtt180 -147.67 172.63 13.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.488 -0.778 . . . . 73.25 112.019 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.48 -80.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.878 1.271 . . . . 73.32 114.107 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.489 ' O ' ' HG3' ' A' ' 23' ' ' MET . 16.2 t80 -75.6 -54.16 7.43 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.616 0.366 . . . . 62.12 111.044 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 23' ' ' MET . 0.0 OUTLIER 34.01 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.016 1.326 . . . . 64.3 114.419 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 66.5 mtt 51.29 46.52 26.35 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.706 0.802 . . . . 73.45 111.233 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -104.41 159.5 15.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.042 -0.981 . . . . 74.24 112.147 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.55 171.51 7.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.24 -0.891 . . . . 73.33 110.512 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.79 113.03 23.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.884 0.373 . . . . 74.14 111.077 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -97.06 -179.2 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.638 -0.71 . . . . 61.35 109.658 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.641 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.4 mttt -54.37 -69.98 0.11 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.0 0.741 . . . . 71.52 113.0 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -43.3 2.51 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.96 0.355 . . . . 64.13 111.96 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.2 mttt -110.39 141.24 43.72 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.407 0.442 . . . . 74.21 111.47 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 t -101.05 142.54 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.254 -0.647 . . . . 70.13 109.254 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 24.1 m-85 -127.41 150.73 49.5 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.16 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.699 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.6 m80 -65.09 157.84 27.47 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.497 0.498 . . . . 71.24 111.321 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.4 pp -65.29 -45.5 84.16 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.16 0.288 . . . . 74.42 110.641 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 43.5 mt-10 -66.28 -30.21 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.783 -0.644 . . . . 72.11 111.238 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.699 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 33.8 m -84.97 -3.52 58.79 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.65 -0.705 . . . . 50.41 111.662 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -88.89 63.05 6.63 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.554 0.692 . . . . 74.33 110.239 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 35' ' ' GLU . 98.1 mttt -120.43 160.59 22.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.18 -0.918 . . . . 61.52 111.325 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 42.0 t -66.06 146.88 54.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.003 -0.544 . . . . 74.45 111.672 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.1 -3.29 57.24 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.847 -0.615 . . . . 44.53 112.13 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.09 -48.06 3.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.143 0.423 . . . . 62.42 112.143 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 23.3 p -113.71 -3.46 13.54 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.096 0.406 . . . . 72.25 112.096 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 16.3 mm-40 63.44 15.77 9.03 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.942 0.897 . . . . 74.42 113.014 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.2 tttm -65.74 163.97 15.53 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.691 0.396 . . . . 63.34 111.548 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.407 ' CE1' ' HE2' ' A' ' 38' ' ' LYS . 62.0 m80 -94.08 154.79 17.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.962 -0.563 . . . . 71.44 111.171 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -113.21 142.22 46.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.724 -0.671 . . . . 74.55 110.663 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 p -120.82 159.02 26.32 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.423 -0.808 . . . . 65.21 111.329 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.81 136.29 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 116.014 -0.539 . . . . 73.4 112.103 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.96 -22.49 27.55 Favored Glycine 0 C--N 1.338 0.66 0 CA-C-N 115.93 -0.577 . . . . 64.22 113.21 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.63 151.97 19.54 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.591 0.234 . . . . 71.24 111.175 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -85.45 138.52 32.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.811 -0.631 . . . . 74.23 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.05 154.92 45.12 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.373 0.42 . . . . 65.34 111.527 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tp -109.19 129.92 55.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 63.11 110.015 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -97.59 106.05 18.3 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.811 -0.631 . . . . 55.3 109.992 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -92.92 175.73 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 115.804 -0.635 . . . . 70.24 110.994 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -48.83 -35.93 15.67 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.82 1.044 . . . . 75.13 113.82 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.529 ' H ' HG23 ' A' ' 55' ' ' ILE . 17.2 t -107.66 -73.85 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.341 0.497 . . . . 70.43 112.341 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.4 m-20 -120.35 -166.94 1.37 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.871 0.322 . . . . 75.52 111.871 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -93.72 143.27 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 122.851 0.46 . . . . 73.24 110.192 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.0 t -120.4 127.52 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 116.003 -0.544 . . . . 72.23 110.162 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.34 157.53 28.92 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.168 0.587 . . . . 72.41 112.257 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.668 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -60.28 -22.55 63.27 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.945 -0.57 . . . . 74.23 111.886 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -67.06 -40.59 87.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.257 -0.428 . . . . 75.13 111.613 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -110.33 5.37 21.55 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.694 0.627 . . . . 42.3 112.694 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.42 -52.64 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 113.058 0.762 . . . . 73.54 113.058 -178.512 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.2 t80 -61.6 -52.34 64.78 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.522 0.564 . . . . 70.12 112.522 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.569 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.11 -39.81 93.62 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.867 0.692 . . . . 63.44 112.867 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 59.9 t-105 -65.4 -54.45 28.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.635 0.374 . . . . 73.13 111.652 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -60.24 -29.49 68.79 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.042 0.449 . . . . 70.34 111.442 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.8 tttm -65.16 -37.59 87.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.138 -0.937 . . . . 73.44 112.632 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.4 mm -84.05 -47.43 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.525 . . . . 74.41 112.419 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -93.17 5.38 51.72 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.701 0.63 . . . . 73.23 112.701 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.7 -94.89 0.91 Allowed Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.162 -0.542 . . . . 72.21 112.411 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.09 -147.9 17.81 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.474 -0.393 . . . . 61.03 112.564 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.3 p -127.52 145.83 50.71 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.642 0.26 . . . . 52.4 110.969 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.95 -85.41 0.53 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 115.867 -0.606 . . . . 63.22 112.514 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.34 -122.26 0.6 Allowed Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.409 -0.424 . . . . 75.05 112.459 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -99.6 -42.12 7.03 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.275 0.23 . . . . 62.24 111.271 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -127.97 77.92 0.39 Allowed Glycine 0 C--N 1.34 0.757 0 O-C-N 123.491 0.494 . . . . 42.13 112.51 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.21 -97.99 0.44 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.457 -0.402 . . . . 70.3 112.456 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.6 m -100.89 130.82 46.95 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.637 0.257 . . . . 75.44 110.913 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.7 -143.87 3.84 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.821 -0.627 . . . . 73.23 112.512 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 142.67 151.82 5.57 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 121.487 -0.387 . . . . 72.21 112.585 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.77 147.48 25.42 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.286 0.234 . . . . 73.24 110.88 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.95 129.0 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.943 -0.571 . . . . 64.22 110.094 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 mtt -120.23 160.96 21.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.605 -0.725 . . . . 73.44 111.367 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.46 148.89 4.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.823 -0.626 . . . . 61.23 110.418 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.42 110.11 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 116.303 -0.408 . . . . 74.03 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.64 151.1 52.25 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 115.494 -0.775 . . . . 65.22 113.431 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.22 148.77 98.33 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-O 118.984 -0.532 . . . . 70.12 111.366 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 23' ' ' MET . 4.4 Cg_exo -79.63 155.3 24.16 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.368 2.045 . . . . 72.51 112.676 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -119.25 116.65 26.69 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.577 0.548 . . . . 74.13 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.89 127.31 31.53 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.844 -0.617 . . . . 74.54 111.526 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.0 mmt 40.97 -82.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.918 1.287 . . . . 54.23 113.719 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.58 -76.39 1.15 Allowed Glycine 0 C--N 1.343 0.92 0 C-N-CA 121.438 -0.41 . . . . 64.12 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.39 154.41 14.2 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.461 -0.4 . . . . 74.41 112.513 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 60.68 149.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.166 0.987 . . . . 65.14 112.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -97.91 -41.78 7.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.709 -0.678 . . . . 72.24 111.244 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.87 121.61 0.77 Allowed Glycine 0 C--N 1.34 0.791 0 O-C-N 123.392 0.432 . . . . 61.51 112.38 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -137.25 88.76 2.37 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.372 0.606 . . . . 72.42 110.57 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 11.8 tt0 -88.18 -18.94 27.63 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.219 -0.901 . . . . 62.44 111.671 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -84.53 -17.02 40.26 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.449 0.537 . . . . 61.45 112.449 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.12 -38.88 16.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.045 0.387 . . . . 75.34 112.045 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.422 HH21 ' HG3' ' A' ' 101' ' ' GLU . 7.7 ppt_? -88.27 2.86 51.47 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.24 0.459 . . . . 72.2 112.24 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 4.8 tp -95.54 -40.77 9.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.362 -0.381 . . . . 75.13 111.187 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 pp -97.77 152.95 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.386 0.429 . . . . 42.53 111.53 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -116.46 -27.05 6.88 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.745 -0.661 . . . . 74.35 111.701 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 64.59 128.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.013 0.925 . . . . 72.22 112.029 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -129.28 153.51 47.73 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.669 -0.696 . . . . 63.32 110.822 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.19 149.2 21.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.964 -0.562 . . . . 74.13 111.132 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.37 -34.59 10.24 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.811 -0.631 . . . . 73.5 111.18 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.4 p 41.49 109.04 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.767 1.227 . . . . 73.42 113.887 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 64.41 131.95 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.037 0.935 . . . . 53.12 112.123 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -99.87 155.69 17.53 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.662 -0.699 . . . . 72.15 110.933 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.81 153.97 19.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.996 -0.547 . . . . 75.03 111.357 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.1 123.69 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.913 0.885 . . . . 71.34 112.21 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.57 -41.06 6.39 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.824 -0.626 . . . . 72.43 111.572 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -97.18 145.12 26.34 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.429 0.456 . . . . 73.4 110.958 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 125.79 102.72 1.34 Allowed Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.754 -0.657 . . . . 71.42 112.426 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.493 HD13 ' H ' ' A' ' 120' ' ' ILE . 0.2 OUTLIER -120.04 124.48 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 123.622 0.248 . . . . 71.42 111.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -110.8 134.66 52.32 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.902 -0.59 . . . . 74.34 110.836 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -128.5 140.59 51.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.974 -0.557 . . . . 75.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.488 -0.768 . . . . 75.3 110.827 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.564 0.221 . . . . 74.15 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.77 -43.01 2.8 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.881 -0.6 . . . . 73.21 111.147 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.66 149.24 50.42 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.958 0.503 . . . . 71.34 111.959 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 mt -127.33 143.43 51.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.787 -0.642 . . . . 73.23 110.736 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -128.29 141.92 51.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.94 -0.573 . . . . 72.22 110.966 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.01 147.41 17.82 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.811 -0.631 . . . . 72.24 112.343 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 46.8 mt-30 -107.91 149.78 27.89 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.687 0.279 . . . . 74.33 111.291 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -96.41 -13.74 22.96 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.599 -0.728 . . . . 71.04 111.38 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.469 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -99.6 88.99 0.84 Allowed Glycine 0 C--N 1.339 0.75 0 N-CA-C 112.064 -0.415 . . . . 63.22 112.064 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -86.17 159.12 19.59 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.865 0.466 . . . . 75.44 111.683 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.2 120.92 7.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.457 0.703 . . . . 74.54 112.805 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.9 66.45 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.322 1.23 . . . . 62.14 114.322 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -89.08 -53.91 4.36 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.348 0.87 . . . . 73.32 113.348 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 p -97.95 6.35 47.8 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.447 0.536 . . . . 65.02 112.447 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.09 51.88 5.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.305 1.042 . . . . 63.35 112.918 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 55.1 mmtt -120.02 144.78 47.35 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.391 -0.822 . . . . 72.21 110.571 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -56.97 123.81 16.47 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.882 0.697 . . . . 73.24 112.882 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 16.4 mt -84.17 135.12 25.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.549 -0.75 . . . . 73.32 110.036 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' H ' ' CG ' ' A' ' 22' ' ' GLU . 99.2 mtt180 -139.03 -173.74 3.66 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.035 0.534 . . . . 73.25 112.288 -177.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.587 ' O ' ' HB3' ' A' ' 93' ' ' LEU . . . -67.61 3.12 1.49 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.693 1.368 . . . . 73.32 114.693 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 94' ' ' MET . 1.8 t80 -117.67 -33.44 4.54 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.591 0.71 . . . . 62.12 109.187 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 5.6 mm-40 -56.09 -21.49 22.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 115.393 1.627 . . . . 64.3 115.393 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' ' HB ' ' A' ' 92' ' ' THR . 32.0 mtt 63.63 135.44 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 118.545 0.612 . . . . 73.45 110.895 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.73 ' H ' ' HA ' ' A' ' 92' ' ' THR . 3.9 p -151.5 127.11 10.13 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.34 0.867 . . . . 74.24 113.34 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.578 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -120.31 147.04 45.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.281 178.459 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.815 ' H ' ' H ' ' A' ' 90' ' ' GLU . 21.1 ttt180 -74.07 110.39 8.32 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.168 0.508 . . . . 74.14 111.888 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.1 t -103.94 -178.91 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.151 -0.931 . . . . 61.35 109.239 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.65 ' H ' HG12 ' A' ' 27' ' ' VAL . 95.7 mttt -51.4 -66.13 0.44 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.992 0.738 . . . . 71.52 112.992 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.71 -42.46 2.52 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.318 0.488 . . . . 64.13 112.318 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 38.5 mttm -115.96 148.39 40.14 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.05 0.389 . . . . 74.21 112.05 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 25' ' ' MET . 21.4 t -100.75 151.66 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.898 -0.779 . . . . 70.13 108.898 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.463 ' H ' ' HE2' ' A' ' 25' ' ' MET . 64.1 m-85 -131.72 153.73 49.74 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.79 0.663 . . . . 73.03 112.79 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.715 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 2.9 m80 -65.91 159.83 24.73 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.887 -1.051 . . . . 71.24 113.029 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.602 ' HB3' ' HB2' ' A' ' 23' ' ' MET . 2.4 pp -56.29 -48.17 77.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.454 -0.573 . . . . 74.42 109.454 174.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' H ' ' HG ' ' A' ' 34' ' ' LEU . 45.5 mt-10 -65.35 -29.7 70.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.419 -0.81 . . . . 72.11 110.579 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.715 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -93.15 4.07 54.61 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.402 -0.817 . . . . 50.41 111.207 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.654 ' HA ' HD13 ' A' ' 59' ' ' ILE . 27.4 t80 -133.96 52.47 2.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.527 0.68 . . . . 74.33 109.858 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 157.45 33.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.504 -0.771 . . . . 61.52 111.238 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.1 t -66.38 139.55 58.02 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.058 0.223 . . . . 74.45 110.482 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.36 2.23 55.82 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.823 0.675 . . . . 44.53 112.823 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -116.45 -50.87 2.62 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.251 0.463 . . . . 62.42 112.251 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.543 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 18.5 p -99.8 -3.8 31.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.584 0.231 . . . . 72.25 111.422 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.12 9.9 5.06 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.301 1.04 . . . . 74.42 113.204 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.543 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 12.9 tptm -66.24 157.67 30.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.792 0.329 . . . . 63.34 111.271 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.409 ' HB3' ' OE2' ' A' ' 97' ' ' GLU . 10.0 p80 -105.61 145.53 30.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.663 -0.699 . . . . 71.44 110.632 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.22 135.51 40.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.846 -0.616 . . . . 74.55 110.928 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 m -120.78 171.49 8.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.878 -1.055 . . . . 65.21 111.258 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.32 124.79 20.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 122.883 0.473 . . . . 73.4 111.944 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.08 6.3 37.02 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.763 -0.653 . . . . 64.22 113.843 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -118.36 147.56 43.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.123 0.461 . . . . 71.24 111.349 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -86.11 139.2 31.32 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.82 -0.627 . . . . 74.23 111.0 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.541 ' OH ' HG13 ' A' ' 27' ' ' VAL . 39.2 p90 -137.97 158.52 44.17 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.457 0.473 . . . . 65.34 111.925 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 65' ' ' ILE . 5.0 tt -120.09 129.34 54.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.228 -0.896 . . . . 63.11 108.795 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 55' ' ' ILE . 3.2 tt -89.43 115.65 27.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.105 -0.498 . . . . 55.3 111.699 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.2 tp -86.24 176.62 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 115.203 -0.908 . . . . 70.24 109.713 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' H ' HG13 ' A' ' 55' ' ' ILE . 10.3 m120 -47.71 -38.41 15.17 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.578 0.955 . . . . 75.13 113.578 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.3 t -120.56 -49.57 2.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.774 0.657 . . . . 70.43 112.774 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.567 ' O ' HG22 ' A' ' 55' ' ' ILE . 1.5 m-20 -116.35 -158.89 0.7 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.272 0.471 . . . . 75.52 112.272 -178.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' A' ' 37' ' ' PHE . 4.5 mp -120.16 134.85 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.12 0.568 . . . . 73.24 109.862 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 68' ' ' TRP . 28.6 t -121.08 127.7 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 123.54 0.525 . . . . 72.23 110.552 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.6 p -65.85 149.64 49.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.351 0.407 . . . . 72.41 111.393 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.514 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.14 -18.66 26.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.319 0.859 . . . . 74.23 113.319 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -65.78 -51.38 59.57 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.093 0.405 . . . . 75.13 112.093 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.8 p30 -110.89 15.36 21.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.556 0.576 . . . . 42.3 112.556 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -56.76 -46.47 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 N-CA-C 112.774 0.657 . . . . 73.54 112.774 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.35 -49.21 70.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.874 0.469 . . . . 70.12 111.702 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -65.7 -28.98 69.47 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.848 0.684 . . . . 63.44 112.848 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.546 ' HE1' HG12 ' A' ' 55' ' ' ILE . 58.3 t-105 -62.87 -57.11 11.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.683 0.253 . . . . 73.13 111.683 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.6 p -66.95 -30.39 70.51 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.883 0.373 . . . . 70.34 111.587 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -66.09 -41.43 90.65 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.285 -0.87 . . . . 73.44 112.578 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 67' ' ' GLU . 43.9 mm -84.66 -32.78 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.538 0.57 . . . . 74.41 112.538 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -68.71 -30.19 68.78 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.062 0.764 . . . . 73.23 113.062 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.503 ' HA2' ' ND2' ' A' ' 111' ' ' ASN . . . 76.53 -159.06 49.61 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 121.474 -0.394 . . . . 72.21 113.187 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 110' ' ' GLU . . . -174.45 157.65 25.38 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.398 -0.43 . . . . 61.03 112.726 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.1 m -113.94 -41.68 3.51 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.277 0.231 . . . . 52.4 111.244 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.19 135.9 3.88 Favored Glycine 0 C--N 1.34 0.777 0 O-C-N 123.408 0.443 . . . . 63.22 112.494 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.32 130.12 2.1 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.505 -0.379 . . . . 75.05 112.547 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.0 m -102.11 140.3 36.57 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.272 0.229 . . . . 62.24 110.915 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.44 -125.23 0.76 Allowed Glycine 0 C--N 1.338 0.667 0 CA-C-N 115.917 -0.583 . . . . 42.13 112.515 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.495 ' H ' HH12 ' A' ' 108' ' ' ARG . . . 148.56 154.6 6.36 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.479 -0.391 . . . . 70.3 112.512 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.6 p -99.49 130.37 45.74 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.647 0.263 . . . . 75.44 111.026 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.06 55.28 0.1 OUTLIER Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.834 -0.621 . . . . 73.23 112.518 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.82 -139.11 7.12 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 121.44 -0.409 . . . . 72.21 112.47 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -102.9 142.02 34.71 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.647 0.263 . . . . 73.24 110.833 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 t -115.22 144.59 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.875 -0.602 . . . . 64.22 109.9 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.7 mmt -120.08 145.35 46.96 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.777 -0.647 . . . . 73.44 111.224 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.24 157.23 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.667 -0.697 . . . . 61.23 110.513 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 110.17 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 116.041 -0.527 . . . . 74.03 111.082 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 -120.68 0.01 OUTLIER Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.245 -0.889 . . . . 65.22 114.93 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.815 ' H ' ' H ' ' A' ' 26' ' ' ARG . 16.2 mt-10 -50.91 158.6 1.12 Allowed Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 124.497 1.119 . . . . 70.12 113.07 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 24' ' ' THR . 32.8 Cg_endo -70.11 150.71 66.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.347 2.031 . . . . 72.51 115.286 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.73 ' HA ' ' H ' ' A' ' 24' ' ' THR . 9.4 p -102.25 109.35 21.0 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 113.85 -1.523 . . . . 74.13 108.731 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.658 ' N ' ' HA ' ' A' ' 23' ' ' MET . 3.8 mm? -66.32 111.09 3.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.914 -0.585 . . . . 74.54 112.137 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.46 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 65.6 mtt -18.6 129.24 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.306 1.443 . . . . 54.23 114.765 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.418 ' HA2' ' CD2' ' A' ' 21' ' ' TYR . . . -148.95 -132.64 2.14 Favored Glycine 0 C--N 1.34 0.777 0 CA-C-N 115.445 -0.798 . . . . 64.12 112.688 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.16 26.6 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.525 -0.369 . . . . 74.41 112.763 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.409 ' OE2' ' HB3' ' A' ' 45' ' ' HIS . 41.5 mt-10 -131.35 156.84 44.82 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.518 0.327 . . . . 65.14 111.252 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -127.33 -43.01 1.64 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.21 -0.45 . . . . 72.24 111.676 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.8 5.4 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 121.137 -0.554 . . . . 61.51 113.224 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.46 100.05 2.69 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.183 0.593 . . . . 72.42 109.88 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.7 -17.76 37.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.244 -0.889 . . . . 62.44 112.745 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.4 -11.58 1.97 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 114.393 1.257 . . . . 61.45 114.393 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.61 -2.76 30.76 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.906 0.706 . . . . 75.34 112.906 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -90.64 11.03 23.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 111.878 0.325 . . . . 72.2 111.878 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.8 -34.49 11.87 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.061 0.393 . . . . 75.13 112.061 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.822 HD13 ' H ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -87.68 157.6 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.496 0.554 . . . . 42.53 112.496 -178.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 73' ' ' GLY . 22.8 p -134.67 161.29 35.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.448 -0.797 . . . . 74.35 110.787 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.495 HH12 ' H ' ' A' ' 80' ' ' GLY . 2.9 tmt_? -122.09 -58.89 1.7 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.611 -0.268 . . . . 72.22 111.376 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.95 148.23 38.99 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.184 0.303 . . . . 63.32 111.07 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 74' ' ' GLY . 11.1 tt0 -91.91 125.2 36.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.944 -0.571 . . . . 74.13 111.103 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.503 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 4.5 p30 -134.55 161.83 33.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.588 -0.733 . . . . 73.5 110.778 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.8 p -85.58 115.35 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.275 -0.421 . . . . 73.42 111.559 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -135.76 157.05 47.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.621 -0.718 . . . . 53.12 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -92.58 153.07 19.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.05 -0.523 . . . . 72.15 111.017 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -93.18 147.89 22.49 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.972 -0.558 . . . . 75.03 111.225 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -124.27 154.39 40.29 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.748 -0.66 . . . . 71.34 111.153 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.82 -41.99 9.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.992 -0.549 . . . . 72.43 111.597 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 63.09 128.11 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.918 0.887 . . . . 73.4 112.126 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.1 -102.48 2.46 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.802 -0.635 . . . . 71.42 112.533 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -111.1 146.73 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 O-C-N 123.616 0.244 . . . . 71.42 111.333 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.18 137.11 52.87 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.848 -0.615 . . . . 74.34 110.853 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -103.42 138.25 40.41 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.859 -0.61 . . . . 75.0 110.806 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.486 -0.768 . . . . 75.3 110.55 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.568 0.223 . . . . 74.15 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tp -100.55 148.07 25.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.827 -0.624 . . . . 73.21 110.567 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.57 129.13 38.66 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.954 -0.566 . . . . 71.34 111.938 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.76 -37.9 1.52 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.781 -0.645 . . . . 73.23 111.212 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 63.53 123.87 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.972 0.909 . . . . 72.22 112.139 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.7 -77.38 1.07 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.668 -0.696 . . . . 72.24 112.06 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.489 ' HB2' HG22 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -120.28 143.28 48.41 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.677 0.281 . . . . 74.33 110.866 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -92.92 -10.96 34.63 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.593 -0.73 . . . . 71.04 111.177 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.641 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -93.05 89.61 1.36 Allowed Glycine 0 C--N 1.339 0.731 0 CA-C-N 115.658 -0.701 . . . . 63.22 112.69 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.47 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.3 mp -55.6 159.39 2.95 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.785 0.834 . . . . 75.44 111.8 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.576 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.5 t -60.65 135.01 57.64 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.603 0.594 . . . . 74.54 112.603 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.17 82.57 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.838 -1.074 . . . . 62.14 113.015 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 m -89.38 -52.6 4.96 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.211 0.319 . . . . 73.32 111.773 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 2.6 p -102.94 155.54 18.29 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.093 0.245 . . . . 65.02 110.534 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.79 53.17 2.33 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.333 0.587 . . . . 63.35 110.878 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -120.93 135.19 55.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.5 -0.773 . . . . 72.21 109.783 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -65.16 135.98 56.13 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.828 -0.624 . . . . 73.24 112.536 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 9' ' ' GLY . 57.6 mt -87.37 125.07 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.48 -0.782 . . . . 73.32 109.248 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 77.8 mtp180 -112.15 -174.63 2.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.179 0.436 . . . . 73.25 112.179 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.27 63.88 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.075 0.768 . . . . 73.32 113.075 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -77.78 0.24 24.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 122.965 0.506 . . . . 62.12 110.476 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.642 ' OE2' ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -96.34 109.94 22.36 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.926 0.87 . . . . 64.3 112.453 -178.021 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.7 mtm -106.6 88.39 2.75 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.597 -1.638 . . . . 73.45 107.85 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -104.13 163.92 12.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.57 -1.196 . . . . 74.24 113.047 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 88' ' ' VAL . 13.9 ptm -107.09 172.23 6.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.642 -1.163 . . . . 73.33 109.911 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -89.2 108.64 19.73 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.667 0.27 . . . . 74.14 110.36 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.59 175.72 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.96 -0.564 . . . . 61.35 110.013 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.588 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.7 mttt -54.16 -67.29 0.27 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.279 0.844 . . . . 71.52 113.279 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.56 -42.34 2.54 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.169 0.433 . . . . 64.13 112.169 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.7 mttt -118.51 146.17 44.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.043 0.386 . . . . 74.21 112.043 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -101.65 147.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.626 -0.715 . . . . 70.13 109.276 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -127.0 162.09 26.83 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.302 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.643 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.7 m80 -65.13 154.77 36.98 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.879 0.472 . . . . 71.24 111.226 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.87 -44.07 90.9 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.805 -0.443 . . . . 74.42 109.805 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 41.1 mt-10 -66.17 -33.91 76.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.636 -0.711 . . . . 72.11 111.327 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.4 m -80.99 0.59 34.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.075 -0.511 . . . . 50.41 111.779 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -90.46 57.62 3.72 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.425 0.631 . . . . 74.33 110.409 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.492 ' HD3' ' CE1' ' A' ' 45' ' ' HIS . 9.7 mtmp? -120.07 164.52 16.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.292 -0.867 . . . . 61.52 111.244 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.5 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.088 0.555 . . . . 74.45 111.86 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.05 -10.93 48.7 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.93 0.715 . . . . 44.53 112.93 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -110.4 -50.26 2.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.349 0.5 . . . . 62.42 112.349 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.2 p -103.46 -6.56 21.71 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.2 mp0 63.74 14.95 8.63 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.06 0.944 . . . . 74.42 113.19 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.638 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 57.5 tttt -65.68 163.25 16.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.47 0.308 . . . . 63.34 111.411 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.492 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 56.8 m-70 -95.19 154.66 17.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.047 -0.524 . . . . 71.44 111.139 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -112.91 137.82 50.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.736 -0.665 . . . . 74.55 110.967 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 t -120.64 162.44 19.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.309 -0.859 . . . . 65.21 110.848 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.58 141.6 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.086 -0.506 . . . . 73.4 112.17 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.76 6.07 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.669 0.605 . . . . 64.22 113.112 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.7 150.65 20.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.63 0.253 . . . . 71.24 110.9 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -87.51 143.38 27.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.798 -0.637 . . . . 74.23 111.236 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -128.17 156.46 42.86 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.526 0.516 . . . . 65.34 111.343 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 tt -117.32 126.96 53.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.663 -0.699 . . . . 63.11 109.768 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.11 109.23 20.48 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.898 -0.592 . . . . 55.3 110.471 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.06 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 115.673 -0.694 . . . . 70.24 110.945 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' H ' HG13 ' A' ' 55' ' ' ILE . 11.5 m120 -47.96 -35.82 11.43 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.788 1.033 . . . . 75.13 113.788 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.503 ' H ' HG23 ' A' ' 55' ' ' ILE . 18.5 t -106.38 -73.89 0.67 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.846 0.313 . . . . 70.43 111.846 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.597 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.49 -163.37 1.01 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.308 0.243 . . . . 75.52 111.345 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -91.06 140.36 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 122.651 0.38 . . . . 73.24 110.412 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 68' ' ' TRP . 46.5 t -120.47 120.63 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 72.23 110.093 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -65.19 159.92 22.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.98 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.553 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -64.26 -18.32 64.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.795 -0.638 . . . . 74.23 112.592 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -66.04 -50.71 63.21 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.083 0.401 . . . . 75.13 112.083 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.406 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.1 p30 -110.85 15.18 21.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.864 0.69 . . . . 42.3 112.864 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -56.09 -51.45 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.244 0.618 . . . . 73.54 112.6 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -59.17 -52.71 64.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.117 0.567 . . . . 70.12 112.485 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 71' ' ' ILE . 41.7 mt-10 -62.59 -43.52 98.61 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.584 0.587 . . . . 63.44 112.584 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.476 ' HE1' HG12 ' A' ' 55' ' ' ILE . 55.2 t-105 -65.17 -42.19 93.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.752 0.421 . . . . 73.13 111.835 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 p -67.07 -28.88 68.56 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.096 0.558 . . . . 70.34 111.295 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.85 -43.63 98.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.199 -0.91 . . . . 73.44 112.086 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.0 mp -84.79 -47.37 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 123.364 0.415 . . . . 74.41 111.596 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -69.67 -29.84 67.38 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.961 0.726 . . . . 73.23 112.961 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.82 125.55 3.57 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.776 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.14 -55.03 0.01 OUTLIER Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.535 -0.364 . . . . 61.03 112.471 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.4 t -108.11 144.37 35.59 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.637 0.257 . . . . 52.4 110.706 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.1 -71.11 0.39 Allowed Glycine 0 C--N 1.337 0.597 0 CA-C-N 115.863 -0.608 . . . . 63.22 112.533 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.94 -67.67 0.02 OUTLIER Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.446 -0.406 . . . . 75.05 112.498 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -104.6 136.58 43.87 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.629 0.253 . . . . 62.24 110.693 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.63 139.09 14.23 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.894 -0.594 . . . . 42.13 112.509 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.05 -116.17 0.73 Allowed Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.476 -0.393 . . . . 70.3 112.554 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.4 p -100.37 138.17 37.79 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.622 0.248 . . . . 75.44 110.974 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.59 103.76 1.23 Allowed Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.816 -0.629 . . . . 73.23 112.461 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.39 79.13 0.04 OUTLIER Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.396 -0.431 . . . . 72.21 112.574 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.61 142.67 31.76 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.3 0.24 . . . . 73.24 110.86 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 t -112.45 143.36 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 115.892 -0.594 . . . . 64.22 109.975 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.3 mmt -120.08 148.65 43.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.914 -0.584 . . . . 73.44 110.978 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.87 149.67 5.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.831 -0.622 . . . . 61.23 110.63 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.501 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 4.4 t -65.29 109.99 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 116.198 -0.455 . . . . 74.03 110.713 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' H ' ' CE ' ' A' ' 25' ' ' MET . . . -66.25 146.64 49.18 Favored Glycine 0 C--N 1.342 0.912 0 CA-C-N 115.557 -0.747 . . . . 65.22 113.946 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.92 111.6 6.85 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 122.96 0.504 . . . . 70.12 111.776 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -62.79 155.42 59.74 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 122.749 2.299 . . . . 72.51 113.105 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.5 p -120.09 111.29 17.68 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 74.13 111.251 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.15 118.39 9.82 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.78 -0.645 . . . . 74.54 111.806 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 90.7 mtp 40.76 105.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.751 1.22 . . . . 54.23 113.762 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.95 -172.67 29.82 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.671 -0.695 . . . . 64.12 112.926 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -153.08 147.26 16.58 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 112.239 -0.344 . . . . 74.41 112.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -98.17 137.66 36.61 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.64 0.259 . . . . 65.14 110.943 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.71 -42.45 7.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.816 -0.629 . . . . 72.24 111.269 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.57 153.48 24.57 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.414 0.446 . . . . 61.51 112.671 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.6 m-20 -143.21 93.97 2.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.286 0.565 . . . . 72.42 110.062 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -82.11 -18.91 41.29 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.266 -0.879 . . . . 62.44 112.355 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 -22.59 30.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.315 0.487 . . . . 61.45 112.315 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.18 -36.54 17.97 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.004 0.372 . . . . 75.34 112.004 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 16.7 ptm180 -84.09 -9.18 58.81 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.43 0.53 . . . . 72.2 112.43 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.8 tt -93.87 -47.21 6.85 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.196 0.31 . . . . 75.13 110.756 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.61 167.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 125.135 1.374 . . . . 42.53 114.361 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -142.35 123.84 14.88 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.721 -0.672 . . . . 74.35 110.848 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.21 147.08 27.48 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.935 -0.575 . . . . 72.22 110.931 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.56 154.54 18.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.795 -0.639 . . . . 63.32 110.887 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.28 130.45 39.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.01 -0.541 . . . . 74.13 111.086 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.99 152.79 19.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.82 -0.627 . . . . 73.5 111.227 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -97.53 146.17 25.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.928 -0.578 . . . . 73.42 111.145 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -127.37 143.81 51.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.884 -0.598 . . . . 53.12 110.953 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -101.52 146.27 27.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.881 -0.6 . . . . 72.15 110.889 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.08 -41.69 1.59 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.926 -0.579 . . . . 75.03 111.265 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.91 140.36 33.19 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.405 0.441 . . . . 71.34 111.193 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.48 -41.49 7.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.859 -0.61 . . . . 72.43 111.426 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 18.4 m120 63.14 125.43 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.958 0.903 . . . . 73.4 112.024 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 130.59 -154.95 20.91 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.777 -0.647 . . . . 71.42 112.53 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -120.04 148.23 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 123.656 0.268 . . . . 71.42 111.334 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.67 130.93 46.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.898 -0.592 . . . . 74.34 110.927 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.46 127.25 40.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.986 -0.552 . . . . 75.0 111.07 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.061 -0.971 . . . . 75.3 110.837 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.534 0.207 . . . . 74.15 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 5' ' ' PHE . 5.8 mp -128.26 103.72 7.33 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.841 -0.618 . . . . 73.21 110.582 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.24 -47.78 72.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.673 -0.694 . . . . 71.34 112.554 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 mp -132.61 -13.4 2.95 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.394 0.434 . . . . 73.23 112.031 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.455 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 83.3 m-85 -84.15 154.49 23.09 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.435 0.294 . . . . 72.22 111.479 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.77 140.16 6.46 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.893 -0.594 . . . . 72.24 112.408 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -100.26 156.4 17.24 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.93 0.395 . . . . 74.33 111.535 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -103.07 -9.58 19.61 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.223 -0.899 . . . . 71.04 111.229 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.539 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -75.71 70.17 2.01 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.269 -0.423 . . . . 63.22 113.663 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -56.54 158.04 4.74 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.108 0.563 . . . . 75.44 111.236 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.4 t -76.77 135.64 38.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.938 0.399 . . . . 74.54 111.436 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -65.75 -33.66 76.37 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.093 -0.958 . . . . 62.14 113.114 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 m -92.95 -49.66 5.93 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.254 0.347 . . . . 73.32 111.905 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.6 p -106.98 157.98 17.38 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.095 0.247 . . . . 65.02 110.736 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -91.71 52.29 2.01 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.548 0.689 . . . . 63.35 110.486 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -120.18 131.89 55.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.209 -0.905 . . . . 72.21 109.944 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.16 130.95 45.21 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.775 -0.648 . . . . 73.24 111.954 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 22' ' ' GLU . 17.2 mt -79.27 98.56 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.687 -0.688 . . . . 73.32 109.263 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.522 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.2 tmt_? -147.78 159.89 43.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.518 -0.765 . . . . 73.25 112.056 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.44 -75.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.985 1.314 . . . . 73.32 114.252 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.479 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.5 t80 -72.92 -58.83 3.04 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.513 0.325 . . . . 62.12 111.221 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.547 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 32.61 -87.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.872 1.269 . . . . 64.3 114.291 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 68.0 mtt 45.55 76.69 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.058 0.943 . . . . 73.45 112.061 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.2 p -141.95 161.59 37.59 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.211 -0.904 . . . . 74.24 111.855 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.77 168.44 10.32 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 73.33 110.459 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -87.89 119.49 28.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.753 0.311 . . . . 74.14 110.935 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.682 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -93.38 -179.25 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.728 -0.669 . . . . 61.35 109.783 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.682 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.8 mttt -49.63 -67.75 0.24 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.708 1.003 . . . . 71.52 113.708 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.48 -43.16 2.51 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 111.978 0.362 . . . . 64.13 111.978 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.8 mttt -112.37 151.38 29.85 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.235 0.334 . . . . 74.21 111.543 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.8 t -106.13 146.4 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.881 -0.6 . . . . 70.13 109.917 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -128.53 150.25 50.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.979 -0.555 . . . . 73.03 111.104 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.692 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 13.3 m80 -65.52 159.23 24.98 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.405 0.441 . . . . 71.24 110.349 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.12 -44.82 87.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.6 0.238 . . . . 74.42 110.607 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.49 -33.32 75.42 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.831 -0.622 . . . . 72.11 111.392 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 28.0 m -82.32 -0.86 47.65 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.787 -0.642 . . . . 50.41 111.943 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -91.0 64.07 5.3 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.48 0.657 . . . . 74.33 110.082 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -120.7 163.63 17.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.195 -0.911 . . . . 61.52 111.862 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 43.0 t -66.13 147.3 53.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.389 0.676 . . . . 74.45 111.954 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.9 -7.01 50.4 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.8 -0.636 . . . . 44.53 112.122 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.3 -50.26 3.19 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.169 0.433 . . . . 62.42 112.169 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.5 p -109.56 -4.47 16.22 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.004 0.372 . . . . 72.25 112.004 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.93 11.77 7.29 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.075 0.95 . . . . 74.42 113.111 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.7 tttt -65.83 163.4 16.89 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.617 0.367 . . . . 63.34 111.385 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -97.8 151.44 20.19 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.076 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.24 154.14 19.31 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.655 -0.702 . . . . 74.55 110.968 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -120.61 155.68 33.24 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.594 -0.73 . . . . 65.21 111.261 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.77 128.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 115.937 -0.574 . . . . 73.4 112.279 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.92 -16.12 36.59 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 123.548 0.53 . . . . 64.22 113.494 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.55 151.76 19.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.764 0.282 . . . . 71.24 111.316 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.04 136.94 32.74 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.845 -0.616 . . . . 74.23 111.043 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -129.92 158.59 39.12 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.505 0.503 . . . . 65.34 111.415 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.43 126.45 54.99 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.701 -0.681 . . . . 63.11 109.624 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -93.59 110.14 21.74 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.882 -0.599 . . . . 55.3 110.306 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -91.87 175.9 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.696 -0.684 . . . . 70.24 110.898 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' H ' HG13 ' A' ' 55' ' ' ILE . 11.2 m120 -48.04 -36.32 12.71 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.713 1.005 . . . . 75.13 113.713 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.525 ' H ' HG23 ' A' ' 55' ' ' ILE . 50.5 m -105.5 -75.54 0.62 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.187 0.44 . . . . 70.43 112.187 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.625 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.43 -167.16 1.41 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.698 0.259 . . . . 75.52 111.698 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -92.68 143.67 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.693 0.397 . . . . 73.24 110.471 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.6 t -120.24 127.8 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.661 0.601 . . . . 72.23 109.852 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 p -65.19 157.32 29.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.938 -0.574 . . . . 72.41 112.293 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.643 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.6 -23.33 58.53 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.908 -0.587 . . . . 74.23 111.997 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -41.8 85.66 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.578 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -109.0 4.16 22.91 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.49 0.552 . . . . 42.3 112.49 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.56 -51.48 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 113.072 0.767 . . . . 73.54 113.072 -178.286 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.53 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.6 t80 -63.75 -51.68 63.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.998 0.519 . . . . 70.12 112.372 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.587 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.15 -39.48 93.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.716 0.636 . . . . 63.44 112.716 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.442 ' CD1' HG21 ' A' ' 60' ' ' VAL . 57.9 t-105 -65.4 -50.31 65.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.39 0.276 . . . . 73.13 111.348 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -64.13 -29.02 70.17 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.083 0.468 . . . . 70.34 110.949 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 52.7 tttt -65.09 -42.52 93.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.892 -1.049 . . . . 73.44 111.942 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.0 mm -84.51 -46.57 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 115.851 -0.613 . . . . 74.41 111.758 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -76.21 -29.97 57.81 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.724 0.638 . . . . 73.23 112.724 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.02 129.21 5.05 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.373 -0.441 . . . . 72.21 112.558 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.97 -150.33 6.07 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 121.541 -0.362 . . . . 61.03 112.536 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.3 m -128.17 142.52 51.16 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.62 0.247 . . . . 52.4 110.857 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.7 -158.45 11.28 Favored Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.812 -0.631 . . . . 63.22 112.659 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.68 -143.53 16.52 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 121.48 -0.39 . . . . 75.05 112.465 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.6 m -99.64 -42.45 6.88 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.584 0.226 . . . . 62.24 111.273 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.71 78.01 0.03 OUTLIER Glycine 0 C--N 1.34 0.796 0 O-C-N 123.491 0.494 . . . . 42.13 112.401 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -108.71 -125.58 5.21 Favored Glycine 0 C--N 1.338 0.665 0 C-N-CA 121.373 -0.441 . . . . 70.3 112.578 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.6 m -97.33 136.84 37.23 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.387 0.275 . . . . 75.44 110.98 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.65 55.22 0.96 Allowed Glycine 0 C--N 1.338 0.652 0 CA-C-N 115.785 -0.643 . . . . 73.23 112.438 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.44 110.91 0.3 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 121.457 -0.402 . . . . 72.21 112.511 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -123.83 144.34 49.79 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.318 0.247 . . . . 73.24 110.748 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -119.3 135.2 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 115.923 -0.58 . . . . 64.22 110.019 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.2 mmt -120.24 153.15 36.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.684 -0.689 . . . . 73.44 110.971 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 p -95.93 147.3 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.742 -0.663 . . . . 61.23 110.647 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.38 110.24 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 116.107 -0.497 . . . . 74.03 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 146.11 48.33 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.642 -0.708 . . . . 65.22 113.488 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.89 141.67 97.73 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-O 119.14 -0.457 . . . . 70.12 111.493 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.83 135.91 16.27 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.387 2.058 . . . . 72.51 112.697 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 95' ' ' GLY . 19.0 p -120.13 119.57 33.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.913 -0.585 . . . . 74.13 111.085 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -65.85 126.34 28.18 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.93 -0.577 . . . . 74.54 112.219 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 65.7 mtt 40.98 36.0 0.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.614 1.166 . . . . 54.23 113.558 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.462 ' O ' ' HB ' ' A' ' 92' ' ' THR . . . 97.79 -85.42 0.76 Allowed Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.021 -0.536 . . . . 64.12 112.584 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.06 -109.25 3.53 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.446 -0.407 . . . . 74.41 112.572 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HB3' ' OD1' ' A' ' 100' ' ' ASP . 44.7 mt-10 -102.0 138.85 38.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.313 0.245 . . . . 65.14 110.773 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.13 -43.09 1.33 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.972 -0.558 . . . . 72.24 111.334 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.7 63.5 0.67 Allowed Glycine 0 C--N 1.34 0.779 0 O-C-N 123.387 0.43 . . . . 61.51 112.588 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 7.5 m-20 -130.86 11.48 5.16 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.744 0.307 . . . . 72.42 111.495 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.11 -28.51 21.24 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.13 -0.486 . . . . 62.44 111.979 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.61 -15.87 44.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.124 0.416 . . . . 61.45 112.124 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.9 -36.98 18.09 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.292 0.37 . . . . 75.34 111.718 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.4 ptm180 -87.8 -0.79 57.41 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.093 0.405 . . . . 72.2 112.093 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -92.27 -40.15 11.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.473 -0.331 . . . . 75.13 111.236 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.433 ' H ' HG13 ' A' ' 106' ' ' ILE . 2.2 pp -96.64 135.09 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.35 -0.386 . . . . 42.53 111.43 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -139.43 148.76 43.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.88 -0.6 . . . . 74.35 111.14 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -101.79 133.2 46.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.9 -0.591 . . . . 72.22 110.86 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -129.0 148.02 50.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.854 -0.612 . . . . 63.32 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.78 145.45 28.5 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.856 -0.611 . . . . 74.13 110.861 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -110.47 -42.59 4.06 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.621 0.576 . . . . 73.5 111.279 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 p -99.29 137.5 37.7 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.364 0.415 . . . . 73.42 111.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -128.29 142.21 51.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.859 -0.61 . . . . 53.12 110.802 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -103.21 -40.0 6.61 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.861 -0.609 . . . . 72.15 111.358 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 63.67 127.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.922 0.889 . . . . 75.03 111.938 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.06 149.14 23.32 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.792 -0.64 . . . . 71.34 111.303 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -97.22 -10.97 24.79 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.805 -0.634 . . . . 72.43 111.896 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 63.98 125.07 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.975 0.91 . . . . 73.4 111.871 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.43 105.57 0.22 Allowed Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.732 -0.667 . . . . 71.42 112.474 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.442 ' H ' HG13 ' A' ' 120' ' ' ILE . 2.2 pp -96.69 -10.43 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 112.093 0.405 . . . . 71.42 112.093 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.96 -42.48 8.63 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.328 0.393 . . . . 74.34 111.334 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -129.13 130.94 47.06 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.409 0.443 . . . . 75.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.087 -0.959 . . . . 75.3 110.779 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 111.341 0.126 . . . . 74.15 111.341 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -98.52 132.02 44.28 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.398 0.436 . . . . 73.21 110.92 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -65.7 -39.09 90.9 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.962 -0.563 . . . . 71.34 111.9 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 mp -97.76 143.34 28.5 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.435 0.459 . . . . 73.23 110.838 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -128.78 152.37 48.54 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.952 -0.567 . . . . 72.22 110.918 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.4 -85.94 1.65 Allowed Glycine 0 C--N 1.339 0.7 0 CA-C-N 115.859 -0.61 . . . . 72.24 112.62 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.441 HE22 ' CG2' ' A' ' 18' ' ' ILE . 0.9 OUTLIER -128.16 161.92 28.14 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.758 0.313 . . . . 74.33 110.957 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -93.91 -12.12 29.53 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.715 -0.675 . . . . 71.04 111.627 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.54 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -97.24 91.76 1.25 Allowed Glycine 0 C--N 1.34 0.792 0 C-N-CA 121.486 -0.388 . . . . 63.22 112.846 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.02 158.13 30.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.695 0.398 . . . . 75.44 110.269 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 41.9 t -77.68 136.14 38.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.176 0.512 . . . . 74.54 112.064 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.07 -37.02 84.76 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.795 -1.093 . . . . 62.14 112.934 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 p -89.01 -52.18 5.21 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.316 0.385 . . . . 73.32 111.951 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.586 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.8 p -105.7 158.57 16.62 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.25 0.344 . . . . 65.02 110.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.7 49.52 1.68 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.396 0.617 . . . . 63.35 110.683 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -120.63 131.9 54.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.287 -0.87 . . . . 72.21 110.053 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -65.78 136.36 56.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.834 -0.621 . . . . 73.24 112.247 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 14.3 mt -72.42 142.36 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.686 -0.688 . . . . 73.32 109.87 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -128.37 -178.01 4.39 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.902 0.334 . . . . 73.25 111.902 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB2' ' HE2' ' A' ' 94' ' ' MET . . . -67.79 -26.29 66.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.183 0.593 . . . . 73.32 112.477 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -74.58 -30.94 61.9 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.416 0.447 . . . . 62.12 110.712 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.725 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.5 mm-40 -72.59 -45.76 57.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.756 -0.656 . . . . 64.3 112.555 -177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.53 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 64.7 mtt 46.43 88.04 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.351 0.596 . . . . 73.45 110.659 -179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.5 p -104.34 157.43 17.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 74.24 111.876 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.555 ' SD ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -104.51 167.9 9.43 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.511 -0.768 . . . . 73.33 110.849 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -82.44 115.57 21.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.866 0.365 . . . . 74.14 111.195 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.0 t -99.51 -179.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 115.511 -0.768 . . . . 61.35 109.767 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.66 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.8 mttt -49.86 -66.45 0.39 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.616 0.969 . . . . 71.52 113.616 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.3 -46.19 2.41 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.922 0.342 . . . . 64.13 111.922 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 35.5 mtmt -118.02 153.3 33.92 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.378 0.424 . . . . 74.21 111.467 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.92 146.44 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.938 -0.573 . . . . 70.13 110.008 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -124.49 145.63 49.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.02 -0.536 . . . . 73.03 111.534 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.634 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 10.6 m80 -65.78 159.21 25.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.028 0.531 . . . . 71.24 110.911 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.5 pp -65.07 -47.65 76.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.45 0.167 . . . . 74.42 110.635 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.82 -28.96 69.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.995 -0.548 . . . . 72.11 111.686 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 15.5 m -89.12 -6.28 57.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.03 -0.532 . . . . 50.41 111.814 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -89.6 55.63 3.28 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.464 0.649 . . . . 74.33 110.248 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.97 161.89 20.83 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.277 -0.874 . . . . 61.52 111.701 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 32.5 t -66.12 147.03 53.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.712 -0.677 . . . . 74.45 111.815 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.77 -6.87 35.2 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.049 -0.523 . . . . 44.53 111.933 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.12 -47.68 4.66 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 111.89 0.33 . . . . 62.42 111.89 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.4 p -113.28 -3.33 13.85 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.867 0.321 . . . . 72.25 111.867 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.548 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 65.18 12.43 8.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.101 0.961 . . . . 74.42 113.102 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.609 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.5 tttm -65.96 163.08 17.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.633 0.373 . . . . 63.34 111.409 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -102.05 152.96 20.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -105.95 141.55 37.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.718 -0.674 . . . . 74.55 111.191 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 p -120.65 161.42 21.41 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.344 -0.844 . . . . 65.21 111.115 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.61 136.04 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 112.295 0.48 . . . . 73.4 112.295 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -27.05 15.43 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.908 -0.587 . . . . 64.22 113.326 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.89 149.54 21.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.627 0.251 . . . . 71.24 111.283 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -83.04 138.7 33.63 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.78 -0.645 . . . . 74.23 111.282 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -128.94 154.06 46.93 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.545 0.528 . . . . 65.34 111.42 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 128.68 56.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.709 -0.678 . . . . 63.11 109.7 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.73 112.25 24.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.894 -0.594 . . . . 55.3 110.459 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -90.99 176.18 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.704 -0.68 . . . . 70.24 110.81 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -47.91 -34.16 8.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.953 1.094 . . . . 75.13 113.953 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.476 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.5 t -120.01 -58.76 1.85 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.826 0.676 . . . . 70.43 112.826 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.21 -163.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.197 0.443 . . . . 75.52 112.197 -178.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -106.73 140.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 122.813 0.445 . . . . 73.24 110.144 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.542 HG21 ' CD1' ' A' ' 68' ' ' TRP . 12.0 t -120.6 127.41 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.901 -0.591 . . . . 72.23 110.181 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 p -65.26 159.3 24.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.883 -0.598 . . . . 72.41 112.162 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.3 mt-10 -62.09 -21.21 64.79 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.011 -0.54 . . . . 74.23 111.8 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -67.16 -40.96 86.74 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.282 -0.417 . . . . 75.13 111.599 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -110.38 6.18 22.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.709 0.633 . . . . 42.3 112.709 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.54 -54.35 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.254 0.835 . . . . 73.54 113.254 -178.465 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.558 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 52.7 t80 -58.57 -53.74 54.98 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.683 0.623 . . . . 70.12 112.683 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.591 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.2 mt-10 -65.07 -39.79 93.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.927 0.714 . . . . 63.44 112.927 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.542 ' CD1' HG21 ' A' ' 60' ' ' VAL . 55.4 t-105 -65.55 -54.52 26.79 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.63 0.372 . . . . 73.13 111.784 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.5 p -61.52 -29.57 70.08 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.091 0.472 . . . . 70.34 111.529 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 34.4 tttp -65.52 -38.7 90.44 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.186 -0.915 . . . . 73.44 112.633 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 67' ' ' GLU . 15.0 mm -84.51 -47.66 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.05 0.759 . . . . 74.41 113.05 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -94.85 -29.99 14.43 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.325 0.861 . . . . 73.23 113.325 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.12 131.8 10.96 Favored Glycine 0 C--N 1.338 0.662 0 C-N-CA 121.065 -0.588 . . . . 72.21 112.84 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.95 -55.08 0.38 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.551 -0.357 . . . . 61.03 112.469 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.9 p -128.02 134.1 49.2 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.634 0.255 . . . . 52.4 110.881 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -158.9 -142.93 3.52 Favored Glycine 0 C--N 1.337 0.606 0 CA-C-N 115.921 -0.581 . . . . 63.22 112.53 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.68 143.39 16.03 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.411 -0.423 . . . . 75.05 112.503 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m 70.68 -51.07 0.67 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.521 1.128 . . . . 62.24 112.4 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.96 -151.04 22.21 Favored Glycine 0 C--N 1.34 0.765 0 C-N-CA 121.434 -0.413 . . . . 42.13 112.558 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.26 152.43 23.74 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 121.479 -0.391 . . . . 70.3 112.518 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.0 m -124.56 -42.34 2.09 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 122.246 0.218 . . . . 75.44 111.296 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.29 159.97 9.74 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 123.45 0.469 . . . . 73.23 112.625 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.81 135.76 8.13 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 121.45 -0.405 . . . . 72.21 112.579 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.18 150.65 22.3 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 122.343 0.257 . . . . 73.24 110.922 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.05 131.98 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.981 -0.554 . . . . 64.22 110.13 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -120.2 157.51 28.92 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.654 -0.703 . . . . 73.44 111.184 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.14 152.1 3.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.83 -0.623 . . . . 61.23 110.386 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.19 110.06 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 120.955 0.407 . . . . 74.03 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 25' ' ' MET . . . -66.39 154.19 51.94 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.406 -0.815 . . . . 65.22 113.916 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 12.8 tt0 -66.3 138.79 96.04 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 118.947 -0.549 . . . . 70.12 110.914 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.53 ' HB3' ' O ' ' A' ' 23' ' ' MET . 3.8 Cg_exo -77.19 149.29 28.07 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.257 1.971 . . . . 72.51 112.809 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 t -120.36 128.25 53.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.359 0.599 . . . . 74.13 111.508 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.1 109.84 2.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.424 -1.262 . . . . 74.54 111.587 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.506 ' HE2' ' HB2' ' A' ' 20' ' ' ALA . 16.2 mmt 40.79 105.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.668 1.187 . . . . 54.23 113.848 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.06 -162.64 13.08 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.593 -0.731 . . . . 64.12 112.791 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.73 -129.78 6.8 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 121.49 -0.386 . . . . 74.41 112.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG2' ' OE2' ' A' ' 101' ' ' GLU . 41.2 mt-10 -97.92 140.15 32.7 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 122.283 0.233 . . . . 65.14 111.058 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -98.42 -41.75 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.869 -0.605 . . . . 72.24 111.16 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.2 -121.25 4.27 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 123.491 0.494 . . . . 61.51 112.468 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.495 ' OD1' ' HB2' ' A' ' 103' ' ' GLU . 3.1 t70 -147.55 97.06 2.78 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.247 0.546 . . . . 72.42 110.074 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.4 mp0 -82.75 -18.94 38.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.287 -0.869 . . . . 62.44 112.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.46 -19.62 33.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.099 0.407 . . . . 61.45 112.099 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.495 ' HB2' ' OD1' ' A' ' 100' ' ' ASP . 2.9 tp10 -87.23 -39.61 15.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.5 -0.318 . . . . 75.34 111.44 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 37.6 ptt180 -87.36 8.1 25.96 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.441 0.463 . . . . 72.2 112.141 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 4.8 tp -92.66 -42.47 9.61 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.32 -0.4 . . . . 75.13 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.87 173.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 125.001 1.32 . . . . 42.53 114.057 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.7 p -111.96 147.86 34.99 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.934 -0.576 . . . . 74.35 111.107 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -104.92 148.63 26.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.908 -0.587 . . . . 72.22 110.671 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.08 146.57 26.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.843 -0.617 . . . . 63.32 110.94 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 149.86 33.14 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.876 -0.602 . . . . 74.13 110.929 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -99.21 144.92 27.78 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.863 -0.608 . . . . 73.5 110.823 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -111.66 147.01 36.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.863 -0.608 . . . . 73.42 111.1 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.79 144.84 44.98 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 53.12 110.517 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -128.21 150.56 49.97 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.951 -0.568 . . . . 72.15 110.991 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 62.97 125.25 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.985 0.914 . . . . 75.03 112.09 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.26 -40.27 5.45 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.761 -0.654 . . . . 71.34 111.438 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -95.94 -37.96 10.46 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.438 0.461 . . . . 72.43 111.552 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 18.7 m120 63.65 126.18 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.981 0.912 . . . . 73.4 112.02 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.43 161.75 30.3 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.733 -0.667 . . . . 71.42 112.606 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.496 HD12 ' N ' ' A' ' 121' ' ' ASP . 1.4 pp -107.52 -39.68 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 111.779 0.289 . . . . 71.42 111.779 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 120' ' ' ILE . 11.3 m-20 -133.64 -42.32 0.84 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.235 0.335 . . . . 74.34 111.118 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -102.07 129.79 48.48 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.301 -0.409 . . . . 75.0 110.499 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 N--CA 1.484 1.232 0 C-N-CA 123.884 0.873 . . . . 75.3 112.037 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.302 0.096 . . . . 74.15 111.236 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.1 mt -122.32 -42.18 2.37 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.409 0.443 . . . . 73.21 111.259 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 40.49 105.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.909 1.284 . . . . 71.34 113.797 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.47 -42.32 8.15 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.543 -0.753 . . . . 73.23 111.263 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -103.47 141.88 35.22 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.37 0.419 . . . . 72.22 110.912 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.5 95.63 2.18 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.859 -0.61 . . . . 72.24 112.512 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 61.07 157.39 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.026 0.93 . . . . 74.33 112.588 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.9 -43.03 10.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.977 -0.556 . . . . 71.04 111.545 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.95 -36.82 1.93 Allowed Glycine 0 C--N 1.339 0.739 0 C-N-CA 121.366 -0.445 . . . . 63.22 112.968 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.2 157.87 18.37 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.32 0.248 . . . . 75.44 110.886 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.2 t -84.95 144.63 28.21 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.002 -0.545 . . . . 74.54 111.029 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -37.37 86.13 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.433 0.901 . . . . 62.14 113.433 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -95.67 -53.75 3.61 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.032 0.382 . . . . 73.32 112.032 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 5.2 p -101.06 162.86 12.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.57 0.224 . . . . 65.02 111.205 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.13 49.03 1.37 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.356 0.598 . . . . 63.35 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.619 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 57.3 mttm -113.25 133.63 55.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.486 -0.779 . . . . 72.21 111.11 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -65.64 136.64 56.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.948 -0.569 . . . . 73.24 111.064 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.619 HG23 ' HB3' ' A' ' 22' ' ' GLU . 64.5 mt -84.92 115.62 27.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.101 -0.5 . . . . 73.32 110.726 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.44 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 15.5 ttm180 -100.89 -174.48 2.63 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.227 -0.897 . . . . 73.25 110.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.44 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . -69.86 -5.87 28.71 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.949 0.722 . . . . 73.32 112.949 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -87.76 -13.87 41.2 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.996 0.518 . . . . 62.12 111.387 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.619 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -43.65 -48.72 7.79 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.446 1.276 . . . . 64.3 114.446 -178.22 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.598 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 65.2 mtt 42.45 47.16 4.29 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.878 0.846 . . . . 73.45 110.663 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' GLU . 41.0 p -104.72 169.75 8.27 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.603 -1.18 . . . . 74.24 112.237 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -111.48 150.86 29.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.346 -0.843 . . . . 73.33 109.689 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 115.26 14.65 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.339 -0.391 . . . . 74.14 111.408 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.706 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.4 t -88.76 -179.16 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 115.59 -0.732 . . . . 61.35 109.916 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.706 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.7 mttt -48.07 -67.06 0.31 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.789 1.033 . . . . 71.52 113.789 -178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.37 -42.69 2.54 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.355 0.502 . . . . 64.13 112.355 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.7 mttt -109.99 150.89 27.85 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.24 0.337 . . . . 74.21 111.55 -178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 t -104.84 137.6 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.768 -0.651 . . . . 70.13 109.632 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -118.89 151.79 37.47 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.939 -0.573 . . . . 73.03 111.323 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m80 -65.37 163.76 15.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.089 0.555 . . . . 71.24 110.964 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.2 pp -65.26 -47.44 76.7 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 110.089 -0.337 . . . . 74.42 110.089 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.67 -33.95 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.509 -0.769 . . . . 72.11 111.641 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 34.4 m -80.21 -0.4 36.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.744 -0.662 . . . . 50.41 112.252 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -92.25 55.58 2.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.613 0.721 . . . . 74.33 109.394 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -120.76 165.69 14.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.191 -0.913 . . . . 61.52 112.062 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.1 t -66.12 147.32 53.51 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.481 0.712 . . . . 74.45 112.069 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.77 -8.62 43.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.825 -0.625 . . . . 44.53 112.212 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.13 -50.66 3.31 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 62.42 112.11 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.2 p -107.43 -4.76 18.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.938 0.348 . . . . 72.25 111.938 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 mp0 64.61 12.07 7.21 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.012 0.925 . . . . 74.42 113.1 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.9 tttt -65.87 162.44 19.0 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.604 0.362 . . . . 63.34 111.236 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -99.83 148.71 24.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.109 -0.496 . . . . 71.44 111.186 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -99.89 152.97 19.54 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.558 -0.746 . . . . 74.55 110.739 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -120.43 156.67 30.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.705 -0.679 . . . . 65.21 111.352 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.62 122.57 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 115.924 -0.58 . . . . 73.4 112.08 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.93 6.49 32.29 Favored Glycine 0 C--N 1.337 0.59 0 O-C-N 123.603 0.564 . . . . 64.22 113.43 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.9 153.22 28.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.76 0.28 . . . . 71.24 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -85.31 128.73 34.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.841 -0.618 . . . . 74.23 111.208 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -126.33 155.64 41.7 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.458 0.474 . . . . 65.34 111.419 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.39 128.73 56.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.693 -0.685 . . . . 63.11 109.899 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.83 106.91 18.86 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.965 -0.561 . . . . 55.3 110.213 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.31 175.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.648 -0.705 . . . . 70.24 110.94 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' H ' HG13 ' A' ' 55' ' ' ILE . 11.3 m120 -48.0 -35.79 11.57 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.819 1.044 . . . . 75.13 113.819 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.517 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.7 p -108.44 -72.94 0.7 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.39 0.515 . . . . 70.43 112.39 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.0 m-20 -120.42 -164.68 1.12 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 111.638 0.236 . . . . 75.52 111.638 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -94.24 140.35 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 122.73 0.412 . . . . 73.24 110.398 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.6 t -120.49 127.17 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.88 -0.6 . . . . 72.23 109.961 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.21 158.75 25.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.14 0.576 . . . . 72.41 112.27 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.662 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.8 tt0 -61.92 -21.55 64.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.9 -0.591 . . . . 74.23 111.654 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.02 -40.55 87.28 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.619 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.32 5.86 21.96 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.654 0.613 . . . . 42.3 112.654 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -56.37 -54.37 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.034 0.753 . . . . 73.54 113.034 -178.541 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.64 -52.31 66.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.078 0.551 . . . . 70.12 112.476 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -64.81 -44.21 90.61 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.607 0.595 . . . . 63.44 112.607 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.48 ' HE1' HG12 ' A' ' 55' ' ' ILE . 49.6 t-105 -65.18 -42.64 93.43 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.14 0.422 . . . . 73.13 112.14 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.0 p -67.07 -29.04 68.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.978 0.418 . . . . 70.34 111.228 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -58.56 -46.04 87.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.139 -0.937 . . . . 73.44 111.603 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.2 mp -85.07 -47.33 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.492 0.495 . . . . 74.41 111.182 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -77.77 5.28 9.78 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.703 -0.681 . . . . 73.23 112.821 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.01 66.68 0.54 Allowed Glycine 0 C--N 1.339 0.749 0 C-N-CA 121.437 -0.411 . . . . 72.21 112.398 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.82 149.17 4.9 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.482 -0.389 . . . . 61.03 112.503 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.2 p -98.08 -41.15 8.08 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.617 0.245 . . . . 52.4 111.37 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.74 85.85 0.16 Allowed Glycine 0 C--N 1.339 0.729 0 O-C-N 123.434 0.459 . . . . 63.22 112.496 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.01 -131.05 10.34 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.429 -0.415 . . . . 75.05 112.517 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.4 m -100.24 148.59 24.48 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.322 0.249 . . . . 62.24 110.968 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.9 -118.84 4.23 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.814 -0.63 . . . . 42.13 112.595 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -150.37 -102.62 0.25 Allowed Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.465 -0.397 . . . . 70.3 112.52 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 t -101.03 145.7 28.38 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.618 0.246 . . . . 75.44 110.767 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.59 -72.61 0.79 Allowed Glycine 0 C--N 1.337 0.628 0 CA-C-N 115.877 -0.601 . . . . 73.23 112.389 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.03 -171.09 40.25 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.472 -0.395 . . . . 72.21 112.702 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.53 145.43 29.61 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.629 0.252 . . . . 73.24 110.78 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.3 p -100.16 130.13 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.923 -0.58 . . . . 64.22 110.81 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.4 mtt -120.4 157.63 28.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.612 -0.722 . . . . 73.44 111.035 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.55 142.61 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.981 -0.554 . . . . 61.23 110.287 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.69 109.14 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.332 0.395 . . . . 74.03 110.953 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.56 164.74 45.02 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.601 -0.727 . . . . 65.22 113.426 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.3 157.85 80.04 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 119.118 -0.468 . . . . 70.12 111.799 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.598 ' HB3' ' O ' ' A' ' 23' ' ' MET . 5.3 Cg_exo -79.62 135.37 11.57 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.459 2.106 . . . . 72.51 112.569 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -120.32 111.41 17.74 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.519 0.512 . . . . 74.13 111.446 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.08 126.45 28.66 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.743 -0.662 . . . . 74.54 111.618 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 mmt 40.91 -82.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.752 1.221 . . . . 54.23 113.687 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.54 87.53 0.13 Allowed Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.586 -0.34 . . . . 64.12 112.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.81 139.64 8.36 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.48 -0.39 . . . . 74.41 112.472 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.9 115.75 31.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.877 0.37 . . . . 65.14 110.952 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.544 ' HB3' ' OE1' ' A' ' 101' ' ' GLU . 95.4 m-85 -131.09 86.13 2.34 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.576 -0.738 . . . . 72.24 110.305 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.01 48.46 0.94 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.196 -0.911 . . . . 61.51 112.884 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.68 4.14 3.88 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.919 0.39 . . . . 72.42 111.509 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.544 ' OE1' ' HB3' ' A' ' 98' ' ' PHE . 1.7 mp0 -88.3 -29.22 20.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.743 -0.662 . . . . 62.44 111.866 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.5 -13.98 50.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.361 0.504 . . . . 61.45 112.361 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -82.65 -36.8 25.7 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.556 0.342 . . . . 75.34 111.909 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -93.52 -9.75 37.26 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.317 0.385 . . . . 72.2 111.968 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.455 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.2 tt -93.93 -15.27 25.12 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.185 0.303 . . . . 75.13 111.713 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.411 ' H ' HG13 ' A' ' 106' ' ' ILE . 1.6 pp -85.45 113.64 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 111.882 0.327 . . . . 42.53 111.882 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -144.82 151.67 39.13 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.631 -0.713 . . . . 74.35 110.838 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -109.19 114.66 28.57 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.087 -0.506 . . . . 72.22 110.764 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.17 149.61 48.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.689 -0.687 . . . . 63.32 110.798 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.56 125.49 51.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.939 -0.573 . . . . 74.13 110.686 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.52 128.97 40.42 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.895 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -120.15 146.49 45.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.824 -0.625 . . . . 73.42 111.038 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -126.13 124.41 40.48 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.618 0.574 . . . . 53.12 110.86 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -132.92 153.9 50.95 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.837 -0.619 . . . . 72.15 110.639 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -96.85 130.42 44.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.929 -0.578 . . . . 75.03 110.885 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.54 -36.51 2.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.887 -0.597 . . . . 71.34 111.645 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -90.4 -37.72 13.79 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.349 0.406 . . . . 72.43 111.854 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -95.12 129.46 42.21 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.388 0.43 . . . . 73.4 111.062 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 145.08 65.97 0.02 OUTLIER Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.827 -0.624 . . . . 71.42 112.455 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -119.93 151.73 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 O-C-N 123.615 0.244 . . . . 71.42 111.395 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.35 143.11 50.97 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.825 -0.625 . . . . 74.34 110.852 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -101.04 136.07 41.49 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.883 -0.598 . . . . 75.0 110.79 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.46 -0.781 . . . . 75.3 110.798 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.36 0.124 . . . . 74.15 111.309 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.7 mt 63.99 136.34 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.986 0.914 . . . . 73.21 112.104 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.67 147.35 53.54 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.777 -0.647 . . . . 71.34 111.949 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -104.27 -9.77 18.34 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.816 -0.629 . . . . 73.23 111.729 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -90.47 156.15 18.4 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.467 -0.333 . . . . 72.22 111.263 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.57 -100.33 1.18 Allowed Glycine 0 C--N 1.341 0.828 0 CA-C-N 115.93 -0.577 . . . . 72.24 112.758 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.412 ' HB2' HG22 ' A' ' 18' ' ' ILE . 1.7 mt-30 -128.59 137.84 51.91 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.949 0.404 . . . . 74.33 111.557 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -94.68 -8.23 38.42 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.174 -0.921 . . . . 71.04 110.644 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.596 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -89.63 89.27 1.54 Allowed Glycine 0 C--N 1.339 0.742 0 CA-C-N 115.349 -0.841 . . . . 63.22 112.547 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.45 159.19 2.9 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.729 0.812 . . . . 75.44 111.811 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.597 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.0 t -63.19 133.7 54.74 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.793 0.664 . . . . 74.54 112.793 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.12 -33.53 75.98 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.747 -1.115 . . . . 62.14 112.6 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -90.37 -53.31 4.5 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.391 0.432 . . . . 73.32 111.618 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.1 p -102.66 153.7 19.86 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 123.155 0.285 . . . . 65.02 110.54 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -91.27 55.79 2.93 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.339 0.59 . . . . 63.35 110.953 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -120.81 136.99 54.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 72.21 110.308 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.49 122.89 18.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.044 -0.525 . . . . 73.24 111.609 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 9' ' ' GLY . 65.0 mt -79.28 120.36 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 116.088 -0.505 . . . . 73.32 109.934 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -121.38 -174.26 2.81 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.576 -0.738 . . . . 73.25 111.168 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.44 -8.09 0.31 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.765 1.024 . . . . 73.32 113.765 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.435 ' HE2' ' OE1' ' A' ' 103' ' ' GLU . 58.0 t80 -75.66 -10.34 59.36 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.27 0.628 . . . . 62.12 111.35 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.39 156.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.91 0.862 . . . . 64.3 111.717 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.9 mtt -155.91 57.11 0.6 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.191 -1.822 . . . . 73.45 107.332 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.408 HG21 ' HA ' ' A' ' 33' ' ' HIS . 48.8 p -113.02 171.56 7.47 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.023 -1.444 . . . . 74.24 112.106 -176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.36 164.8 11.73 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.551 -0.749 . . . . 73.33 110.164 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -87.69 120.82 29.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.85 0.357 . . . . 74.14 111.331 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -93.31 -178.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.343 -0.844 . . . . 61.35 109.677 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.697 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -47.09 -66.91 0.33 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.83 1.048 . . . . 71.52 113.83 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.5 -44.95 2.44 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.26 0.467 . . . . 64.13 112.26 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -108.4 153.06 23.83 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 74.21 111.79 -178.673 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 149.69 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.684 -0.689 . . . . 70.13 109.75 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -129.51 148.44 51.41 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.04 -0.527 . . . . 73.03 111.078 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.661 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 12.2 m80 -65.56 160.46 22.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.876 0.47 . . . . 71.24 111.33 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -65.58 -46.75 78.2 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.221 0.326 . . . . 74.42 110.297 178.32 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.53 -32.14 73.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.529 -0.759 . . . . 72.11 111.558 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -84.91 -1.02 56.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 50.41 112.052 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -90.74 60.16 4.4 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.521 0.676 . . . . 74.33 110.304 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -120.46 163.24 18.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.234 -0.894 . . . . 61.52 111.637 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 27.4 t -66.13 147.5 53.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.044 -0.526 . . . . 74.45 112.056 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.6 -6.7 56.02 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 44.53 111.102 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.08 -41.14 3.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.787 -0.642 . . . . 62.42 111.64 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.4 m -105.43 -20.12 13.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.397 -0.365 . . . . 72.25 111.951 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.544 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 mp0 69.72 1.29 3.34 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.072 0.949 . . . . 74.42 111.974 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -66.36 164.95 15.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.304 0.642 . . . . 63.34 111.395 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -93.29 151.85 19.54 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.37 0.419 . . . . 71.44 111.039 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -98.33 151.11 20.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.663 -0.698 . . . . 74.55 111.112 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 t -120.54 156.25 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.397 -0.82 . . . . 65.21 110.961 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.73 136.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.965 -0.561 . . . . 73.4 111.639 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.91 -27.62 14.18 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.967 -0.56 . . . . 64.22 113.291 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.21 149.88 21.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.381 0.272 . . . . 71.24 111.289 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -85.02 141.21 30.46 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.941 -0.572 . . . . 74.23 111.226 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -128.5 156.16 43.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.046 -0.524 . . . . 65.34 111.421 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tp -113.87 131.02 56.42 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.705 -0.68 . . . . 63.11 109.7 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -94.92 107.0 19.02 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.936 -0.575 . . . . 55.3 110.182 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.81 175.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-N 115.734 -0.666 . . . . 70.24 110.962 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -48.03 -34.74 9.89 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.924 1.083 . . . . 75.13 113.924 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.3 m -120.18 -56.76 1.98 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.955 0.724 . . . . 70.43 112.955 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.27 -164.93 1.13 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.1 0.407 . . . . 75.52 112.1 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 2.5 mp -109.02 142.93 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 122.905 0.482 . . . . 73.24 109.864 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.545 HG21 ' CD1' ' A' ' 68' ' ' TRP . 3.7 t -120.13 127.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.538 0.524 . . . . 72.23 110.099 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.46 158.93 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.984 -0.553 . . . . 72.41 112.201 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.553 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -58.73 -18.1 28.64 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.268 0.84 . . . . 74.23 113.268 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -65.66 -51.8 56.61 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.239 0.459 . . . . 75.13 112.239 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.73 15.12 22.12 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.089 0.403 . . . . 42.3 112.089 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.5 -47.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.055 0.542 . . . . 73.54 112.412 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.13 -50.93 64.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 122.959 0.504 . . . . 70.12 111.907 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 71' ' ' ILE . 8.8 mm-40 -65.04 -43.44 92.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.545 ' CD1' HG21 ' A' ' 60' ' ' VAL . 48.0 t-105 -63.63 -42.41 98.16 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.667 0.387 . . . . 73.13 111.846 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -67.16 -29.2 68.83 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.886 0.474 . . . . 70.34 111.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -59.04 -45.79 89.86 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.175 -0.92 . . . . 73.44 111.737 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.3 mp -85.04 -47.33 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.046 -0.524 . . . . 74.41 111.214 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -78.22 5.19 10.81 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.857 0.688 . . . . 73.23 112.857 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -146.58 -151.82 5.5 Favored Glycine 0 C--N 1.338 0.658 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.616 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 153.83 -138.82 6.45 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.395 -0.431 . . . . 61.03 112.471 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 p -100.61 148.85 24.37 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.672 0.278 . . . . 52.4 111.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.03 -108.14 2.95 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 115.789 -0.641 . . . . 63.22 112.544 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.49 -145.46 4.41 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.482 -0.39 . . . . 75.05 112.507 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.0 m -100.71 140.52 34.87 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 123.616 0.245 . . . . 62.24 110.947 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.54 -60.84 0.52 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.901 -0.59 . . . . 42.13 112.537 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.82 115.43 0.7 Allowed Glycine 0 C--N 1.337 0.605 0 C-N-CA 121.428 -0.415 . . . . 70.3 112.444 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.6 m -100.75 131.97 46.38 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.285 0.234 . . . . 75.44 110.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.24 110.36 0.44 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.89 -0.595 . . . . 73.23 112.499 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.84 126.7 8.79 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.544 -0.36 . . . . 72.21 112.493 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.99 141.77 33.41 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.633 0.255 . . . . 73.24 110.89 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.51 143.4 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 115.929 -0.578 . . . . 64.22 109.95 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.05 149.18 42.6 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.662 0.601 . . . . 73.44 111.103 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.39 152.12 3.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.72 -0.673 . . . . 61.23 110.696 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.33 110.42 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.24 -0.436 . . . . 74.03 110.461 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 153.53 51.65 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 115.621 -0.718 . . . . 65.22 113.864 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.93 113.26 11.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 122.92 0.488 . . . . 70.12 111.557 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.03 157.85 46.76 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.511 2.141 . . . . 72.51 113.035 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.4 p -107.4 115.04 29.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.988 -0.551 . . . . 74.13 111.062 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.94 150.63 48.32 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.755 -0.657 . . . . 74.54 111.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -65.86 -44.16 86.23 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.941 -0.572 . . . . 54.23 111.797 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.0 100.42 2.11 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.421 0.451 . . . . 64.12 112.61 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.68 -80.78 0.17 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.389 -0.434 . . . . 74.41 112.597 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.33 147.7 25.5 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.327 0.251 . . . . 65.14 110.96 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -99.93 -43.23 6.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.883 -0.599 . . . . 72.24 111.188 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.82 -174.09 29.29 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.459 0.475 . . . . 61.51 112.652 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.36 86.64 2.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.317 0.579 . . . . 72.42 110.689 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.27 -30.89 19.32 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.327 -0.852 . . . . 62.44 112.071 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.45 -16.54 42.2 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.383 0.512 . . . . 61.45 112.383 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' OE1' ' HE2' ' A' ' 21' ' ' TYR . 3.0 tp10 -84.84 -2.84 58.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.22 0.325 . . . . 75.34 111.768 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -88.42 -15.11 36.31 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.457 -0.338 . . . . 72.2 111.739 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.493 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.6 tt -93.93 -32.82 13.73 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 123.302 0.376 . . . . 75.13 111.052 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.9 pp 44.62 107.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 124.935 1.294 . . . . 42.53 113.991 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -109.29 153.29 24.08 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.556 -0.747 . . . . 74.35 110.938 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.38 -48.09 5.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.498 0.499 . . . . 72.22 111.546 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp 63.33 148.75 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.958 0.903 . . . . 63.32 112.154 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.28 113.53 26.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.835 -0.621 . . . . 74.13 110.78 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 150.99 48.1 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.788 -0.642 . . . . 73.5 110.644 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -101.47 137.76 39.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.817 -0.628 . . . . 73.42 110.952 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -128.91 132.97 47.73 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.972 -0.558 . . . . 53.12 110.993 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -130.2 148.0 51.99 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.765 -0.652 . . . . 72.15 110.795 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.58 134.82 42.98 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.86 -0.609 . . . . 75.03 110.784 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.11 148.21 29.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.831 -0.622 . . . . 71.34 111.1 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.71 -42.5 7.2 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.887 -0.597 . . . . 72.43 111.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -119.19 137.85 53.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.305 -0.407 . . . . 73.4 110.938 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 142.86 86.61 0.09 OUTLIER Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.812 -0.631 . . . . 71.42 112.449 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -110.5 141.23 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 123.631 0.253 . . . . 71.42 111.321 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.98 135.55 51.33 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.885 -0.598 . . . . 74.34 110.908 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.43 131.45 48.44 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.649 0.593 . . . . 75.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.144 -0.932 . . . . 75.3 111.14 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.509 0.195 . . . . 74.15 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.77 124.06 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.875 0.87 . . . . 73.21 112.119 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -65.7 134.2 52.71 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.839 -0.619 . . . . 71.34 111.926 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 5' ' ' PHE . 1.6 tt -130.0 144.96 51.61 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.983 -0.553 . . . . 73.23 110.607 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.473 ' N ' HD23 ' A' ' 4' ' ' LEU . 86.2 m-85 -132.64 150.46 52.15 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.944 -0.571 . . . . 72.22 111.17 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.08 144.75 3.99 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.76 -0.655 . . . . 72.24 112.174 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.402 ' NE2' HG22 ' A' ' 18' ' ' ILE . 32.0 mt-30 -99.7 150.7 22.03 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.957 0.408 . . . . 74.33 111.61 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 110' ' ' GLU . 18.8 m-20 -105.31 -10.61 16.91 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.112 -0.949 . . . . 71.04 111.132 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.549 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -92.12 87.72 1.3 Allowed Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.155 -0.475 . . . . 63.22 112.371 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.66 158.59 34.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.16 0.584 . . . . 75.44 111.929 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 35.5 t -78.23 116.43 18.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.004 -0.544 . . . . 74.54 111.961 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.24 63.91 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.055 1.131 . . . . 62.14 114.055 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.2 p -94.41 -53.9 3.74 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.929 0.715 . . . . 73.32 112.929 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 p -95.9 -1.88 48.4 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.366 0.506 . . . . 65.02 112.366 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.78 35.38 26.15 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.644 0.778 . . . . 63.35 112.021 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -117.44 152.27 35.37 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.913 -0.585 . . . . 72.21 110.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -65.3 130.77 44.54 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.706 -0.679 . . . . 73.24 112.278 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.643 ' HA ' ' HE2' ' A' ' 33' ' ' HIS . 16.8 mt -80.11 126.59 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.486 -0.779 . . . . 73.32 110.151 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -110.49 -177.39 3.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.79 -0.641 . . . . 73.25 111.868 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.55 66.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.701 0.63 . . . . 73.32 112.701 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.86 -32.22 73.61 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.893 0.477 . . . . 62.12 111.435 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.595 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.9 mm-40 -70.72 -18.59 62.79 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.297 0.851 . . . . 64.3 113.297 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.7 mtm 36.62 97.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.743 0.817 . . . . 73.45 111.853 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 32' ' ' TYR . 17.7 p -103.69 150.11 24.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 74.24 112.271 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -100.58 158.92 15.57 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.689 -1.142 . . . . 73.33 110.141 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.74 108.44 16.79 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.044 0.449 . . . . 74.14 110.201 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.9 t -100.27 171.34 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.343 -0.844 . . . . 61.35 109.692 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' H ' HG12 ' A' ' 27' ' ' VAL . 89.3 mttt -53.85 -62.72 1.47 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.588 0.958 . . . . 71.52 113.588 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.48 -42.77 2.53 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.941 0.719 . . . . 64.13 112.941 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 69.9 mttt -115.41 139.14 50.28 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.41 0.522 . . . . 74.21 112.41 -177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 t -100.85 147.15 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.833 -0.803 . . . . 70.13 108.833 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' ' 24' ' ' THR . 30.7 m-85 -134.32 151.49 51.27 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.478 0.548 . . . . 73.03 112.478 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.713 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 29.0 m80 -65.69 162.56 18.26 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.485 -0.779 . . . . 71.24 111.286 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 22' ' ' GLU . 4.1 pp -65.91 -47.46 74.67 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 117.65 0.204 . . . . 74.42 110.776 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' HD12 ' A' ' 34' ' ' LEU . 43.6 mt-10 -65.52 -23.33 66.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.097 -0.501 . . . . 72.11 111.645 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.713 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.1 m -91.3 -5.2 55.01 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.974 -0.557 . . . . 50.41 111.399 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -105.42 55.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.406 0.622 . . . . 74.33 110.072 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -120.82 159.18 25.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.41 -0.814 . . . . 61.52 111.733 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 48.6 t -66.13 147.26 53.61 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.871 -0.604 . . . . 74.45 112.037 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.02 -7.64 42.15 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.812 -0.631 . . . . 44.53 112.119 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.5 -50.63 3.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.092 0.404 . . . . 62.42 112.092 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.8 p -109.35 -4.25 16.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.92 10.39 6.15 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.133 0.973 . . . . 74.42 113.097 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.7 tttt -65.9 162.47 19.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.685 0.394 . . . . 63.34 111.392 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.82 152.89 18.25 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.998 -0.546 . . . . 71.44 110.954 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -100.56 145.45 28.32 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 74.55 111.196 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.8 m -120.79 162.3 20.01 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.09 -0.959 . . . . 65.21 111.384 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.74 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.096 0.559 . . . . 73.4 112.355 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.02 -31.92 8.08 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.989 -0.55 . . . . 64.22 113.407 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.68 150.36 20.73 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.661 0.267 . . . . 71.24 111.349 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.55 144.42 26.34 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.76 -0.654 . . . . 74.23 111.058 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.13 154.71 41.03 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.505 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -111.73 130.0 55.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.625 -0.716 . . . . 63.11 109.777 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -95.01 111.5 23.3 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.96 -0.563 . . . . 55.3 110.36 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.88 176.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.767 -0.651 . . . . 70.24 110.804 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -47.78 -34.62 8.76 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.851 1.056 . . . . 75.13 113.851 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 55' ' ' ILE . 55.9 p -120.12 -56.9 1.98 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.851 0.685 . . . . 70.43 112.851 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.608 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.8 m-20 -120.3 -163.5 1.01 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.102 0.408 . . . . 75.52 112.102 -178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -110.27 143.27 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 122.823 0.449 . . . . 73.24 109.941 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 7.8 t -120.35 130.13 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.103 -0.499 . . . . 72.23 110.162 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.0 p -65.47 158.02 27.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.98 -0.554 . . . . 72.41 112.338 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.2 mt-10 -60.04 -22.74 63.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.058 0.543 . . . . 74.23 111.802 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.08 -40.37 86.96 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.166 -0.47 . . . . 75.13 111.559 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -110.04 4.83 21.67 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.643 0.609 . . . . 42.3 112.643 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.54 -54.0 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 113.191 0.811 . . . . 73.54 113.191 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.8 t80 -59.77 -53.06 62.36 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.607 0.595 . . . . 70.12 112.607 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.593 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.3 mt-10 -65.23 -40.62 94.3 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.758 0.651 . . . . 63.44 112.758 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.0 t-105 -65.45 -50.56 64.93 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.448 0.299 . . . . 73.13 111.615 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.7 p -63.56 -29.15 70.45 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.112 0.482 . . . . 70.34 111.072 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.4 tttt -65.12 -43.05 93.22 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.991 -1.004 . . . . 73.44 111.776 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.0 mm -84.74 -47.06 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.822 -0.627 . . . . 74.41 111.879 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -77.31 -30.01 53.93 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.768 0.655 . . . . 73.23 112.768 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.09 167.05 12.79 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.325 -0.464 . . . . 72.21 112.758 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.31 -125.96 5.72 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 121.473 -0.394 . . . . 61.03 112.481 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 t -127.22 -43.8 1.62 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.631 0.253 . . . . 52.4 111.107 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.12 124.14 5.1 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 116.304 -0.407 . . . . 63.22 112.465 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.15 126.68 1.85 Allowed Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.408 -0.425 . . . . 75.05 112.467 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.7 m 62.75 126.34 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.958 0.903 . . . . 62.24 112.1 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.89 -107.01 1.52 Allowed Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.762 -0.654 . . . . 42.13 112.503 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -148.19 119.74 1.12 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.485 -0.388 . . . . 70.3 112.512 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.2 m -127.95 130.94 49.24 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.588 0.229 . . . . 75.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -162.18 148.37 15.52 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 115.943 -0.572 . . . . 73.23 112.539 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.98 129.22 8.96 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.488 -0.387 . . . . 72.21 112.51 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -127.72 136.35 51.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.347 0.259 . . . . 73.24 110.515 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.37 148.6 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.887 -0.597 . . . . 64.22 110.022 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.09 143.08 48.33 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.677 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.6 t -99.69 136.86 29.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 123.49 0.494 . . . . 61.23 110.432 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.65 109.93 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 116.321 -0.4 . . . . 74.03 111.024 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.59 162.57 44.56 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 115.736 -0.665 . . . . 65.22 113.789 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.0 129.8 93.97 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.955 0.502 . . . . 70.12 112.063 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.47 141.55 31.72 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.354 2.036 . . . . 72.51 112.621 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 p -120.44 111.66 17.99 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.381 0.426 . . . . 74.13 111.447 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.08 116.51 7.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.959 -0.564 . . . . 74.54 111.793 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -66.21 -45.34 81.07 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.644 -0.707 . . . . 54.23 112.014 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.64 -95.47 0.16 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 116.135 -0.484 . . . . 64.12 112.381 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.89 105.94 0.86 Allowed Glycine 0 C--N 1.337 0.639 0 C-N-CA 121.376 -0.44 . . . . 74.41 112.597 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 5' ' ' PHE . 17.8 mm-40 -133.59 154.38 50.92 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.412 0.285 . . . . 65.14 111.053 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.57 3.13 56.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.939 -0.573 . . . . 72.24 111.799 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.46 110.21 3.69 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 121.53 -0.366 . . . . 61.51 112.91 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -129.51 14.44 6.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.789 0.328 . . . . 72.42 111.394 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -87.87 -18.97 28.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.196 -0.456 . . . . 62.44 111.982 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.55 -18.85 34.36 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.168 0.432 . . . . 61.45 112.168 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.15 -23.87 26.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.059 0.392 . . . . 75.34 112.059 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -93.36 -14.34 26.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.32 -0.4 . . . . 72.2 111.625 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.18 -9.98 37.41 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.289 0.368 . . . . 75.13 111.755 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 mt 65.92 121.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.661 0.784 . . . . 42.53 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 p -139.94 -25.69 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.837 -0.619 . . . . 74.35 111.69 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 64.67 127.01 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.986 0.914 . . . . 72.22 111.902 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.24 -13.88 3.89 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.741 -0.663 . . . . 63.32 111.794 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' HG3' ' OD1' ' A' ' 8' ' ' ASP . 42.4 mt-10 -74.7 125.93 29.77 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.138 -1.392 . . . . 74.13 111.789 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -130.15 159.65 36.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.549 -0.75 . . . . 73.5 110.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.6 p -90.05 118.62 29.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.067 -0.515 . . . . 73.42 111.339 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -131.18 150.37 52.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.714 -0.675 . . . . 53.12 110.86 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -100.35 143.37 30.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.847 -0.615 . . . . 72.15 110.787 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -127.83 145.18 51.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.826 -0.625 . . . . 75.03 110.855 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -118.01 134.47 54.94 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.917 -0.583 . . . . 71.34 111.191 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.15 -42.72 6.59 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.863 -0.608 . . . . 72.43 111.42 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -108.64 143.85 37.16 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.401 0.438 . . . . 73.4 110.849 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 120' ' ' ILE . . . -109.4 -150.37 13.53 Favored Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.876 -0.602 . . . . 71.42 112.493 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 119' ' ' GLY . 2.1 pt 40.48 100.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.72 1.208 . . . . 71.42 113.798 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -122.25 127.15 49.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.647 -0.706 . . . . 74.34 111.028 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 62.79 125.86 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.955 0.902 . . . . 75.0 112.033 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.48 -0.772 . . . . 75.3 110.804 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.551 0.215 . . . . 74.15 110.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.1 142.64 50.58 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.931 -0.577 . . . . 73.21 110.883 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.69 150.38 48.57 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.903 -0.589 . . . . 71.34 111.858 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -116.95 149.96 39.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.847 -0.615 . . . . 73.23 110.975 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.75 150.08 48.01 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.886 -0.597 . . . . 72.22 110.894 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.86 -129.72 2.54 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.912 -0.585 . . . . 72.24 112.626 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 39.8 mt-30 -96.05 155.58 16.69 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.705 0.288 . . . . 74.33 111.338 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -99.69 -13.15 19.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.668 -0.696 . . . . 71.04 111.984 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.545 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -93.2 77.6 1.12 Allowed Glycine 0 C--N 1.341 0.817 0 C-N-CA 121.308 -0.472 . . . . 63.22 112.951 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.47 ' HA ' ' H ' ' A' ' 18' ' ' ILE . 4.0 pp -77.03 160.45 29.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.928 0.491 . . . . 75.44 111.676 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 18.7 t -57.53 136.83 56.76 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.141 0.793 . . . . 74.54 113.141 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.2 -30.15 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.758 -1.11 . . . . 62.14 111.537 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.1 t -93.45 -46.44 7.32 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.736 -0.666 . . . . 73.32 110.616 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.3 m -98.66 133.73 42.58 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 123.364 0.415 . . . . 65.02 110.236 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.13 50.74 1.8 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.508 0.671 . . . . 63.35 109.384 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -120.85 130.06 53.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.128 -0.942 . . . . 72.21 110.656 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HA ' ' HB3' ' A' ' 10' ' ' LEU . 32.7 ptt180 -58.36 107.44 0.49 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.691 0.619 . . . . 73.24 111.154 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.545 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 10.0 mt -56.34 98.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-N 115.675 -0.693 . . . . 73.32 110.136 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 18.1 ttp180 -148.09 175.94 10.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.189 -0.914 . . . . 73.25 111.629 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . 56.1 -77.93 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.846 1.258 . . . . 73.32 113.915 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -80.06 -64.18 1.24 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 122.319 0.247 . . . . 62.12 111.056 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 33.55 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.703 1.201 . . . . 64.3 113.817 -179.593 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.558 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 19.7 mmt 42.35 45.16 3.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.319 1.048 . . . . 73.45 112.609 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -113.13 173.41 6.4 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.21 -0.905 . . . . 74.24 111.385 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -109.79 146.23 35.35 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.556 -0.747 . . . . 73.33 110.193 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -77.95 119.04 20.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.063 -0.517 . . . . 74.14 111.58 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -86.22 -178.92 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.437 -0.801 . . . . 61.35 109.862 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.634 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -47.78 -66.51 0.39 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.496 0.925 . . . . 71.52 113.496 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.74 -38.75 2.81 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.107 0.41 . . . . 64.13 112.107 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 79.5 mttt -102.31 152.72 20.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.013 0.375 . . . . 74.21 112.013 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 p -118.58 141.99 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.796 -0.638 . . . . 70.13 109.765 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 42.4 m-85 -135.26 152.58 51.66 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.25 0.343 . . . . 73.03 111.603 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.86 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 23.9 m80 -65.47 168.16 7.71 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.111 -0.495 . . . . 71.24 110.34 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.69 -49.81 73.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.714 0.292 . . . . 74.42 110.608 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.79 -23.23 66.04 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.588 -0.733 . . . . 72.11 111.683 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.86 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 35.1 m -86.36 -1.57 57.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.643 -0.708 . . . . 50.41 112.088 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -95.54 54.82 1.62 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.554 0.692 . . . . 74.33 109.611 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 159.86 25.72 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.213 -0.903 . . . . 61.52 112.216 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 7.6 t -66.38 147.21 53.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.671 -0.695 . . . . 74.45 111.563 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.97 -9.16 28.83 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.17 -0.468 . . . . 44.53 111.994 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.32 -50.52 4.09 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.785 0.291 . . . . 62.42 111.785 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.5 p -106.39 -5.79 18.74 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.647 0.24 . . . . 72.25 111.647 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.537 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 13.1 mm100 65.86 8.96 5.69 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.315 1.046 . . . . 74.42 113.055 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.2 tttt -66.08 161.67 21.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.647 0.379 . . . . 63.34 111.428 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -102.87 147.13 27.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.998 -0.547 . . . . 71.44 110.772 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -99.81 143.81 29.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.755 -0.657 . . . . 74.55 110.811 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 p -120.57 162.16 20.1 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 65.21 111.026 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.53 130.76 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 116.142 -0.481 . . . . 73.4 111.928 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.11 -14.87 36.88 Favored Glycine 0 C--N 1.337 0.596 0 O-C-N 123.636 0.585 . . . . 64.22 113.092 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.57 149.8 23.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.642 0.258 . . . . 71.24 110.842 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -86.63 136.88 32.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.906 -0.588 . . . . 74.23 111.236 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -128.72 155.82 44.47 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.03 -0.532 . . . . 65.34 111.405 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -119.99 121.2 38.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.51 -0.768 . . . . 63.11 109.381 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -86.29 115.31 23.75 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.912 -0.586 . . . . 55.3 111.015 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.47 176.37 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.404 -0.817 . . . . 70.24 110.597 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.421 ' H ' HG13 ' A' ' 55' ' ' ILE . 11.5 m120 -47.82 -34.92 9.32 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.679 0.992 . . . . 75.13 113.679 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.527 ' H ' HG23 ' A' ' 55' ' ' ILE . 51.4 m -111.18 -67.72 0.98 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.578 0.584 . . . . 70.43 112.578 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.588 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.45 -165.09 1.15 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.992 0.367 . . . . 75.52 111.992 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -94.47 135.37 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 122.864 0.466 . . . . 73.24 110.417 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.79 122.69 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.005 -0.543 . . . . 72.23 110.342 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.13 160.86 20.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.054 0.541 . . . . 72.41 112.043 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 65' ' ' ILE . 42.8 mt-10 -64.12 -18.91 64.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.989 -0.551 . . . . 74.23 112.11 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -66.81 -44.76 80.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.336 -0.393 . . . . 75.13 111.829 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.9 13.19 22.2 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.352 0.501 . . . . 42.3 112.352 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -59.32 -54.02 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 112.771 0.656 . . . . 73.54 112.771 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.64 -52.35 66.06 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.152 0.581 . . . . 70.12 112.344 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.0 mt-10 -63.73 -41.0 98.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.665 0.617 . . . . 63.44 112.665 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.1 -50.82 64.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.564 0.346 . . . . 73.13 111.368 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.2 p -62.85 -29.08 70.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.964 0.506 . . . . 70.34 111.288 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 32.2 tttp -65.27 -38.53 90.57 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.113 -0.949 . . . . 73.44 112.801 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 67' ' ' GLU . 4.7 mt -84.15 -48.08 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 113.238 0.829 . . . . 74.41 113.238 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.07 -30.17 15.42 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.332 0.864 . . . . 73.23 113.332 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.69 155.01 8.76 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.974 -0.631 . . . . 72.21 112.719 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.82 -52.52 0.06 OUTLIER Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.57 -0.348 . . . . 61.03 112.419 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m 62.91 126.14 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.012 0.925 . . . . 52.4 112.112 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 81' ' ' SER . . . -141.56 -130.52 2.56 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.749 -0.66 . . . . 63.22 112.551 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.48 -96.2 0.19 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 121.455 -0.402 . . . . 75.05 112.511 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.1 m -98.52 139.81 33.71 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 122.348 0.259 . . . . 62.24 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.91 -107.26 2.85 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.894 -0.594 . . . . 42.13 112.485 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.93 -123.44 5.26 Favored Glycine 0 C--N 1.338 0.67 0 C-N-CA 121.452 -0.404 . . . . 70.3 112.54 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.444 ' O ' ' HA3' ' A' ' 76' ' ' GLY . 46.5 p -99.07 -41.94 7.31 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.318 0.247 . . . . 75.44 111.412 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -126.49 -63.43 0.15 Allowed Glycine 0 C--N 1.341 0.806 0 O-C-N 123.491 0.495 . . . . 73.23 112.427 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.71 -138.39 2.46 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.477 -0.392 . . . . 72.21 112.445 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -101.45 139.92 36.46 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.607 0.241 . . . . 73.24 110.742 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.27 139.48 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.803 -0.635 . . . . 64.22 109.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 89.7 mtp -119.95 150.21 40.88 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.934 -0.575 . . . . 73.44 111.232 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.69 146.01 6.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.805 -0.634 . . . . 61.23 110.399 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.44 109.44 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 123.336 0.398 . . . . 74.03 111.005 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.4 162.99 46.58 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 115.594 -0.73 . . . . 65.22 113.423 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.05 156.92 82.88 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.105 -0.474 . . . . 70.12 111.59 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.558 ' HB3' ' O ' ' A' ' 23' ' ' MET . 4.4 Cg_exo -77.64 139.37 17.94 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.42 2.08 . . . . 72.51 112.58 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.17 111.46 17.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.072 -0.513 . . . . 74.13 111.217 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.4 pp -66.15 129.75 40.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.728 -0.669 . . . . 74.54 112.062 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 66.5 mtt 40.86 102.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.689 1.196 . . . . 54.23 113.577 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.24 -149.0 18.91 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.597 -0.729 . . . . 64.12 112.537 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.57 -110.96 0.27 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 121.416 -0.421 . . . . 74.41 112.573 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -99.7 149.73 23.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.332 0.253 . . . . 65.14 110.998 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -99.75 -43.0 6.61 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.781 -0.645 . . . . 72.24 111.213 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.86 75.07 0.05 OUTLIER Glycine 0 C--N 1.341 0.837 0 C-N-CA 121.38 -0.438 . . . . 61.51 112.537 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -128.32 11.16 6.36 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.797 0.332 . . . . 72.42 111.388 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.03 -24.89 23.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.011 -0.541 . . . . 62.44 111.884 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.49 -22.38 30.25 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.102 0.408 . . . . 61.45 112.102 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -87.16 -37.15 17.58 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.25 0.344 . . . . 75.34 111.643 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.11 13.18 21.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.394 0.434 . . . . 72.2 111.697 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.7 tt -90.0 -43.45 10.53 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.405 -0.361 . . . . 75.13 111.237 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.407 ' H ' HG13 ' A' ' 106' ' ' ILE . 1.4 pp -99.67 109.13 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 123.321 0.388 . . . . 42.53 111.23 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.0 p -145.15 152.27 39.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.636 -0.711 . . . . 74.35 111.048 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -100.55 128.92 46.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.862 -0.608 . . . . 72.22 110.708 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.54 150.64 40.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.859 -0.61 . . . . 63.32 111.039 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.95 151.77 20.53 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.807 -0.633 . . . . 74.13 110.892 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -96.75 145.32 25.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.92 -0.582 . . . . 73.5 110.712 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.6 p 41.99 -177.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.817 1.247 . . . . 73.42 114.22 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -130.73 -43.37 1.11 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.218 -0.446 . . . . 53.12 111.165 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -109.32 127.27 54.18 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.378 0.424 . . . . 72.15 110.812 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -132.44 140.3 48.37 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.866 -0.606 . . . . 75.03 110.788 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.12 126.51 50.33 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 71.34 111.022 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.67 -42.91 5.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.848 -0.614 . . . . 72.43 111.522 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -100.38 147.08 26.22 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.416 0.448 . . . . 73.4 111.015 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -151.83 103.03 0.23 Allowed Glycine 0 C--N 1.337 0.586 0 CA-C-N 115.83 -0.623 . . . . 71.42 112.45 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.432 ' H ' HG13 ' A' ' 120' ' ' ILE . 2.1 pp -107.43 149.54 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.639 0.258 . . . . 71.42 111.365 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -128.21 131.18 48.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.923 -0.58 . . . . 74.34 110.76 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -99.73 -42.61 6.78 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.857 -0.61 . . . . 75.0 111.182 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.485 -0.769 . . . . 75.3 110.773 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.477 ' CD2' ' HG ' ' A' ' 2' ' ' LEU . 26.8 p90 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 111.707 0.262 . . . . 74.15 111.707 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 1' ' ' TYR . 13.8 mt -94.87 135.41 36.4 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.332 0.395 . . . . 73.21 111.021 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 41.03 104.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.685 1.194 . . . . 71.34 113.603 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD11 ' NH1' ' A' ' 17' ' ' ARG . 3.2 pp -86.95 153.31 21.68 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.562 -0.744 . . . . 73.23 111.473 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -97.76 149.81 21.91 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.911 -0.586 . . . . 72.22 111.279 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.62 -159.75 31.22 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.803 -0.635 . . . . 72.24 112.624 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 19' ' ' ARG . 38.0 mt-30 -103.1 155.57 18.3 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.753 0.311 . . . . 74.33 111.211 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.02 -10.5 16.54 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.578 -0.737 . . . . 71.04 111.989 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.649 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -78.0 64.46 3.39 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 121.557 -0.354 . . . . 63.22 113.579 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -55.75 158.55 3.54 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.368 0.667 . . . . 75.44 111.903 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -74.12 133.8 42.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.972 0.415 . . . . 74.54 111.25 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.19 -24.08 66.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.526 -0.761 . . . . 62.14 111.563 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 t -97.28 -46.24 6.19 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.739 -0.664 . . . . 73.32 110.814 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.76 148.16 25.61 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.36 0.412 . . . . 65.02 110.982 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.87 46.42 1.36 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.578 -0.897 . . . . 63.35 108.578 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' HD23 ' A' ' 10' ' ' LEU . 87.3 tttt -120.12 135.88 54.8 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.443 -1.253 . . . . 72.21 110.533 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.42 ' NH1' HD11 ' A' ' 4' ' ' LEU . 64.2 mtt180 -65.66 119.15 10.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.9 -0.591 . . . . 73.24 110.742 178.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.649 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 13.0 mt -71.54 97.9 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.128 0.49 . . . . 73.32 109.808 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.557 HH21 HH22 ' A' ' 104' ' ' ARG . 28.5 ptt180 -148.27 171.8 15.38 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.171 -0.922 . . . . 73.25 111.979 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 56.3 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.805 1.242 . . . . 73.32 113.835 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.9 t80 -76.84 -60.44 2.36 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.54 0.336 . . . . 62.12 110.742 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.655 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 30.38 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.276 1.43 . . . . 64.3 114.817 179.051 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.5 mtt 49.53 40.69 19.84 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.139 0.976 . . . . 73.45 112.538 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -116.44 169.02 9.64 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.56 -0.746 . . . . 74.24 111.611 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.25 167.27 9.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.44 -0.8 . . . . 73.33 110.928 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -86.75 122.55 30.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.337 -0.392 . . . . 74.14 111.364 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -97.08 -179.02 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.683 -0.69 . . . . 61.35 109.474 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.694 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -48.39 -66.82 0.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.773 1.027 . . . . 71.52 113.773 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.38 -42.74 2.54 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.466 0.543 . . . . 64.13 112.466 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 73.5 mttt -108.64 153.93 22.71 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.269 0.355 . . . . 74.21 111.655 -178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -112.67 138.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.9 -0.591 . . . . 70.13 109.817 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 32.9 m-85 -117.85 150.44 39.17 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.052 -0.522 . . . . 73.03 111.137 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.84 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 18.1 m80 -65.58 164.18 14.71 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.735 -0.469 . . . . 71.24 109.735 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.21 -47.61 76.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.696 0.225 . . . . 74.42 110.683 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.54 -24.88 66.43 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.962 -0.563 . . . . 72.11 111.385 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.84 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 37.0 m -86.26 -5.28 59.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.754 -0.657 . . . . 50.41 112.316 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -94.07 55.29 2.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.517 0.675 . . . . 74.33 110.388 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -121.37 160.73 23.43 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.183 -0.917 . . . . 61.52 111.747 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 23.3 t -66.15 146.95 54.05 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.215 0.606 . . . . 74.45 111.656 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.97 -6.52 38.78 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.433 0.458 . . . . 44.53 112.08 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.84 -48.99 3.91 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.911 0.337 . . . . 62.42 111.911 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.9 p -110.0 -4.2 16.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.752 0.279 . . . . 72.25 111.752 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 65.0 11.81 7.39 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.157 0.983 . . . . 74.42 113.079 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.0 tttt -65.94 162.4 19.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.56 0.344 . . . . 63.34 111.33 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -101.58 151.41 22.02 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.029 -0.532 . . . . 71.44 110.902 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -104.98 136.59 44.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.73 -0.668 . . . . 74.55 111.015 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.57 165.48 14.95 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.294 -0.866 . . . . 65.21 111.07 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.68 140.57 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 122.934 0.494 . . . . 73.4 111.616 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.97 5.92 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 115.935 -0.575 . . . . 64.22 113.133 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.58 152.39 19.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.326 0.25 . . . . 71.24 111.277 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -88.22 142.92 27.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.4 153.56 46.95 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.066 -0.515 . . . . 65.34 111.314 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 tt -116.23 126.26 53.37 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.52 -0.763 . . . . 63.11 109.663 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -89.26 113.63 24.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.907 -0.588 . . . . 55.3 110.748 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.13 176.42 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-N 115.518 -0.764 . . . . 70.24 110.652 179.617 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -47.77 -33.94 7.83 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.882 1.067 . . . . 75.13 113.882 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.2 m -120.03 -57.88 1.91 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.852 0.686 . . . . 70.43 112.852 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.33 -163.12 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.025 0.38 . . . . 75.52 112.025 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -105.52 138.68 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 122.86 0.464 . . . . 73.24 110.045 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 68' ' ' TRP . 17.0 t -120.78 126.61 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 123.517 0.511 . . . . 72.23 110.384 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.25 159.36 23.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.885 -0.598 . . . . 72.41 111.929 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.652 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.9 tt0 -63.11 -20.48 65.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.914 0.485 . . . . 74.23 111.647 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -67.02 -41.7 86.17 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.762 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.4 6.09 21.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.643 0.608 . . . . 42.3 112.643 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.21 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.223 0.823 . . . . 73.54 113.223 -178.502 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.82 -53.23 60.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.07 0.548 . . . . 70.12 112.478 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.599 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.12 -39.84 93.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.778 0.659 . . . . 63.44 112.778 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.467 ' CD1' HG21 ' A' ' 60' ' ' VAL . 58.1 t-105 -65.5 -51.3 61.04 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.633 0.373 . . . . 73.13 111.76 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 p -64.33 -29.42 70.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.059 0.457 . . . . 70.34 111.367 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 31.6 tttp -65.56 -41.43 92.97 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.05 -0.977 . . . . 73.44 112.011 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.599 HG12 ' O ' ' A' ' 67' ' ' GLU . 14.0 mm -84.73 -46.95 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.09 -0.505 . . . . 74.41 111.702 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -76.81 -29.83 56.16 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.698 0.629 . . . . 73.23 112.698 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.78 -106.72 2.78 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.532 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.23 149.79 21.52 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.406 -0.426 . . . . 61.03 112.56 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.5 p -120.52 142.97 48.83 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.688 0.287 . . . . 52.4 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.4 -149.38 21.49 Favored Glycine 0 C--N 1.337 0.601 0 O-C-N 123.697 0.623 . . . . 63.22 112.488 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.11 55.34 0.35 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 121.403 -0.427 . . . . 75.05 112.507 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.4 p -100.61 -42.79 6.4 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.616 0.245 . . . . 62.24 111.271 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.47 84.53 1.31 Allowed Glycine 0 C--N 1.339 0.749 0 O-C-N 123.45 0.469 . . . . 42.13 112.513 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.88 -149.34 23.12 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 121.432 -0.414 . . . . 70.3 112.519 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.1 t -127.93 144.33 51.1 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.688 0.287 . . . . 75.44 110.724 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.29 -99.61 2.39 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.819 -0.628 . . . . 73.23 112.492 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 176.27 -149.78 10.09 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.429 -0.415 . . . . 72.21 112.527 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -121.72 144.48 48.77 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.624 0.249 . . . . 73.24 110.845 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.1 t -102.65 134.48 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 115.97 -0.559 . . . . 64.22 110.065 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -120.14 153.89 35.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.663 -0.699 . . . . 73.44 110.895 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.16 149.97 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.983 -0.553 . . . . 61.23 110.538 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.14 110.27 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.893 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.04 151.01 52.02 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.629 -0.714 . . . . 65.22 113.751 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.98 116.75 35.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 122.922 0.489 . . . . 70.12 111.616 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.9 152.97 80.03 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.511 2.141 . . . . 72.51 112.965 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -107.46 121.45 44.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.879 -0.6 . . . . 74.13 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.82 151.15 47.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.865 -0.607 . . . . 74.54 111.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.7 mmt 41.09 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.711 1.204 . . . . 54.23 113.585 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.88 55.03 0.56 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.534 -0.757 . . . . 64.12 112.42 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.93 151.72 5.59 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.515 -0.374 . . . . 74.41 112.51 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -124.11 150.31 45.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.716 0.293 . . . . 65.14 111.068 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 48.73 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.395 1.078 . . . . 72.24 112.685 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -127.16 -163.31 11.41 Favored Glycine 0 C--O 1.235 0.207 0 CA-C-N 114.319 -1.309 . . . . 61.51 112.543 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -133.87 85.65 2.22 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.285 0.564 . . . . 72.42 110.623 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -88.43 -32.92 18.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.377 -0.829 . . . . 62.44 111.968 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -84.39 -27.3 27.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.111 0.411 . . . . 61.45 112.111 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -87.07 -27.7 22.99 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.79 0.293 . . . . 75.34 111.79 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.557 HH22 HH21 ' A' ' 19' ' ' ARG . 79.2 mtp180 -92.15 -4.24 54.52 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.335 0.397 . . . . 72.2 111.904 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.6 tt -92.56 -43.48 9.12 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.532 -0.304 . . . . 75.13 111.144 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -99.06 125.77 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.324 0.39 . . . . 42.53 111.374 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 p -139.06 139.39 37.76 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.879 -0.6 . . . . 74.35 110.994 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -99.38 -43.3 6.62 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.953 -0.567 . . . . 72.22 111.272 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.2 146.58 45.07 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.289 0.368 . . . . 63.32 110.905 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.04 23.75 6.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.876 -0.602 . . . . 74.13 111.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.41 131.84 47.31 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.846 -0.615 . . . . 73.5 110.852 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -103.77 143.48 32.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.925 -0.58 . . . . 73.42 111.092 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -114.15 150.27 34.42 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.848 -0.615 . . . . 53.12 110.907 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -98.55 136.42 38.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.919 -0.582 . . . . 72.15 110.834 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.56 144.91 28.98 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.852 -0.613 . . . . 75.03 110.928 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.59 149.31 23.86 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.934 -0.575 . . . . 71.34 111.15 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.18 -42.24 7.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.929 -0.578 . . . . 72.43 111.448 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -121.36 136.46 54.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.314 -0.403 . . . . 73.4 110.825 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.02 -81.52 0.16 Allowed Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.9 -0.591 . . . . 71.42 112.483 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.412 ' O ' HD12 ' A' ' 120' ' ' ILE . 2.1 pp -109.58 136.47 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.682 0.283 . . . . 71.42 111.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.56 -42.94 1.43 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.883 -0.598 . . . . 74.34 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.01 131.14 52.92 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.406 0.441 . . . . 75.0 110.82 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.489 -0.767 . . . . 75.3 110.509 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.558 0.218 . . . . 74.15 110.548 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 mt -128.38 141.65 51.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.882 -0.599 . . . . 73.21 110.92 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -65.7 150.21 48.86 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.9 -0.591 . . . . 71.34 111.9 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mp -124.21 145.93 49.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.959 -0.564 . . . . 73.23 110.832 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -128.75 132.84 47.96 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.865 -0.607 . . . . 72.22 110.526 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.6 158.77 8.53 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.85 -0.614 . . . . 72.24 112.555 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.595 ' HG2' ' N ' ' A' ' 19' ' ' ARG . 64.2 mt-30 -117.56 178.42 4.4 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.533 0.196 . . . . 74.33 110.982 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.64 -15.05 0.83 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.539 0.94 . . . . 71.04 113.539 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.599 ' C ' ' H ' ' A' ' 18' ' ' ILE . . . -100.02 83.7 0.57 Allowed Glycine 0 C--N 1.34 0.774 0 N-CA-C 115.341 0.896 . . . . 63.22 115.341 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 3.7 mm? -51.98 122.92 9.25 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 117.237 0.518 . . . . 75.44 111.8 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 38.9 t -64.89 148.61 51.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.123 -0.944 . . . . 74.54 111.954 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.31 -36.52 83.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.327 -0.851 . . . . 62.14 111.799 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -96.03 -41.8 8.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.655 -0.702 . . . . 73.32 111.61 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -97.76 155.48 17.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.107 0.254 . . . . 65.02 110.867 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.6 27.41 2.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.256 0.55 . . . . 63.35 110.325 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -113.98 138.28 50.57 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.478 -0.783 . . . . 72.21 110.415 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HD2' ' O ' ' A' ' 7' ' ' GLN . 44.2 mtt180 -66.03 155.85 35.47 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 115.629 -0.714 . . . . 73.24 111.209 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.617 HG12 ' CD2' ' A' ' 33' ' ' HIS . 78.2 mt -120.04 98.09 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 121.429 0.633 . . . . 73.32 112.402 -177.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.595 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -150.69 159.77 44.29 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.759 -1.11 . . . . 73.25 110.897 178.818 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.471 ' H ' ' HD3' ' A' ' 19' ' ' ARG . . . 51.08 -81.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 124.307 1.043 . . . . 73.32 113.807 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -64.79 -20.23 66.26 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.895 0.478 . . . . 62.12 110.838 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.591 ' OE2' ' HA ' ' A' ' 19' ' ' ARG . 4.2 pt-20 -29.05 -60.71 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.783 1.233 . . . . 64.3 113.874 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.832 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 25.6 mmt 40.46 68.23 0.43 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.851 0.834 . . . . 73.45 110.234 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.409 ' N ' ' HA ' ' A' ' 92' ' ' THR . 14.9 t -157.5 -173.79 4.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 114.6 -1.182 . . . . 74.24 110.081 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.537 ' HB2' ' N ' ' A' ' 89' ' ' GLY . 3.1 ppp? -117.2 164.52 14.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.691 -0.404 . . . . 73.33 112.064 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.759 ' H ' ' H ' ' A' ' 90' ' ' GLU . 40.9 ttt180 -100.11 122.85 43.61 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 74.14 109.939 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.4 t -89.96 -179.18 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.903 -0.59 . . . . 61.35 110.191 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.637 ' H ' HG12 ' A' ' 27' ' ' VAL . 89.6 mttt -48.59 -62.6 1.42 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.731 1.012 . . . . 71.52 113.731 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.59 -38.1 2.92 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.137 0.421 . . . . 64.13 112.137 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 81.2 mttt -99.99 154.2 18.58 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.523 0.515 . . . . 74.21 111.549 -178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -120.11 135.39 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.259 -0.645 . . . . 70.13 109.259 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 73.5 m-85 -123.24 146.6 47.71 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.455 0.472 . . . . 73.03 111.674 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.819 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 28.3 m80 -64.91 174.01 2.08 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.395 0.678 . . . . 71.24 111.831 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.685 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.5 pp -65.52 -47.03 77.35 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 109.946 -0.391 . . . . 74.42 109.946 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.14 -20.49 66.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.191 -0.913 . . . . 72.11 110.808 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.819 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 13.9 m -96.72 -4.48 40.65 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.251 -0.886 . . . . 50.41 112.238 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -115.41 58.96 0.72 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.375 0.607 . . . . 74.33 110.342 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -120.97 159.8 24.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.412 -0.813 . . . . 61.52 111.64 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.4 t -66.12 146.97 54.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.603 -0.726 . . . . 74.45 111.861 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.06 -1.35 57.8 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.923 -0.58 . . . . 44.53 111.988 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.29 -48.2 2.97 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.053 0.39 . . . . 62.42 112.053 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.1 p -110.37 -6.75 14.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.875 0.324 . . . . 72.25 111.875 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 17.8 mm-40 65.01 10.67 6.46 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.101 0.96 . . . . 74.42 112.998 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 63.1 tttt -65.9 161.7 20.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.698 0.399 . . . . 63.34 111.518 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -97.05 153.9 17.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.762 -0.654 . . . . 71.44 111.033 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -102.6 148.66 25.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.931 -0.577 . . . . 74.55 111.13 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -121.15 161.45 21.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.995 -1.002 . . . . 65.21 111.85 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.83 136.4 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.87 -0.605 . . . . 73.4 112.422 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.44 6.14 58.75 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.95 -0.568 . . . . 64.22 113.586 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.9 m-20 -119.62 147.57 44.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.798 0.299 . . . . 71.24 111.06 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -90.04 138.1 31.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.809 -0.632 . . . . 74.23 110.875 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.425 ' OH ' HG13 ' A' ' 27' ' ' VAL . 44.2 p90 -128.57 159.9 34.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.061 -0.518 . . . . 65.34 111.524 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tt -117.71 125.96 51.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.566 -0.743 . . . . 63.11 109.457 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 tt -91.11 110.83 22.11 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.961 -0.563 . . . . 55.3 110.462 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -88.38 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.557 -0.747 . . . . 70.24 110.875 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -47.95 -35.49 10.85 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.681 0.993 . . . . 75.13 113.681 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.508 ' H ' HG23 ' A' ' 55' ' ' ILE . 51.5 m -107.79 -72.23 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.097 0.406 . . . . 70.43 112.097 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.39 -164.98 1.14 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.25 0.22 . . . . 75.52 111.538 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -95.66 142.73 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 122.679 0.391 . . . . 73.24 110.224 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.511 HG21 ' CD1' ' A' ' 68' ' ' TRP . 10.9 t -120.34 125.05 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 O-C-N 123.543 0.527 . . . . 72.23 109.999 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 p -62.83 157.28 21.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.139 0.575 . . . . 72.41 112.122 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -60.9 -21.65 63.56 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.929 -0.578 . . . . 74.23 111.994 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -41.04 86.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.744 0.417 . . . . 75.13 111.691 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -110.44 5.83 21.68 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.666 0.617 . . . . 42.3 112.666 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.55 -53.62 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 113.141 0.793 . . . . 73.54 113.141 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.0 t80 -60.07 -52.87 63.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.582 0.586 . . . . 70.12 112.582 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.0 -39.18 93.08 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.781 0.66 . . . . 63.44 112.781 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CD1' HG21 ' A' ' 60' ' ' VAL . 61.2 t-105 -65.4 -53.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.555 0.342 . . . . 73.13 111.255 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -61.39 -28.93 69.6 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.27 0.557 . . . . 70.34 111.166 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 58.0 tttt -65.1 -38.51 90.93 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.913 -1.039 . . . . 73.44 112.684 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.2 mm -84.19 -47.55 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 112.974 0.731 . . . . 74.41 112.974 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -92.75 -30.04 15.72 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 113.126 0.787 . . . . 73.23 113.126 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.17 -159.43 19.4 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.024 -0.608 . . . . 72.21 112.747 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.28 -54.95 0.08 OUTLIER Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.502 -0.38 . . . . 61.03 112.451 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.3 t -110.77 144.29 39.97 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.717 0.304 . . . . 52.4 110.69 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.97 92.7 1.95 Allowed Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.929 -0.578 . . . . 63.22 112.466 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.97 -89.4 0.16 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.464 -0.398 . . . . 75.05 112.47 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.8 m -99.79 -42.41 6.84 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.605 0.238 . . . . 62.24 111.236 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.21 -108.88 0.78 Allowed Glycine 0 C--N 1.34 0.799 0 O-C-N 123.47 0.481 . . . . 42.13 112.567 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.41 -101.54 1.49 Allowed Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.453 -0.403 . . . . 70.3 112.462 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.3 m -104.68 -43.45 5.13 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.662 0.272 . . . . 75.44 111.272 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.93 -73.45 0.53 Allowed Glycine 0 C--N 1.34 0.757 0 O-C-N 123.521 0.513 . . . . 73.23 112.524 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.3 55.08 0.19 Allowed Glycine 0 C--N 1.336 0.541 0 C-N-CA 121.537 -0.363 . . . . 72.21 112.455 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -120.75 146.16 46.78 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.62 0.247 . . . . 73.24 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 t -125.41 137.91 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.842 -0.617 . . . . 64.22 109.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.501 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 66.7 mtm -108.51 147.45 31.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.78 -0.646 . . . . 73.44 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.92 148.44 6.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.865 -0.607 . . . . 61.23 110.766 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 50' ' ' ASP . 96.8 t -58.99 109.82 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 115.712 -0.677 . . . . 74.03 111.375 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.537 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.42 -117.6 0.01 OUTLIER Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.138 -0.937 . . . . 65.22 114.92 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.759 ' H ' ' H ' ' A' ' 26' ' ' ARG . 11.0 mt-10 -49.96 164.58 0.35 Allowed Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 124.407 1.083 . . . . 70.12 112.513 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -83.3 147.14 12.69 Favored 'Trans proline' 0 C--N 1.375 1.935 0 N-CA-C 117.27 1.989 . . . . 72.51 117.27 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.768 ' HA ' ' C ' ' A' ' 23' ' ' MET . 7.5 t -102.17 164.63 11.59 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 111.527 -2.579 . . . . 74.13 107.615 174.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.832 ' H ' ' HB3' ' A' ' 23' ' ' MET . 5.4 tt -39.84 97.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.851 1.261 . . . . 74.54 112.774 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 tpp -66.46 -48.86 68.57 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.361 -1.29 . . . . 54.23 112.082 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -118.97 -85.58 0.99 Allowed Glycine 0 C--N 1.343 0.932 0 O-C-N 123.379 0.424 . . . . 64.12 112.988 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.31 -164.1 28.72 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 121.303 -0.475 . . . . 74.41 112.882 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -103.41 161.95 13.42 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.514 0.326 . . . . 65.14 110.982 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -87.47 -42.9 12.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.096 -0.502 . . . . 72.24 111.667 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.89 138.7 3.02 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 121.366 -0.445 . . . . 61.51 112.731 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -129.76 60.83 1.58 Allowed 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.478 0.656 . . . . 72.42 110.425 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -88.19 -23.04 23.7 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.345 -0.843 . . . . 62.44 112.176 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.66 -20.77 30.75 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.573 0.582 . . . . 61.45 112.573 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.12 -15.17 39.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.372 0.508 . . . . 75.34 112.372 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -89.61 -29.67 18.68 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.044 0.387 . . . . 72.2 112.044 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -41.76 10.84 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.394 0.434 . . . . 75.13 111.694 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.98 151.01 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 123.348 0.405 . . . . 42.53 111.51 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 p -127.17 125.11 40.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.897 -0.592 . . . . 74.35 110.973 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -105.42 138.5 41.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.907 -0.588 . . . . 72.22 110.867 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.55 140.42 51.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.875 -0.602 . . . . 63.32 110.975 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.01 143.92 32.54 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.846 -0.615 . . . . 74.13 110.804 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -128.69 142.53 50.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.879 -0.601 . . . . 73.5 110.866 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.2 t -103.33 -44.1 5.25 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.83 -0.623 . . . . 73.42 111.306 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -99.06 149.74 22.72 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.422 0.451 . . . . 53.12 110.975 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -98.01 -41.98 7.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.879 -0.601 . . . . 72.15 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.03 128.82 45.24 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 123.386 0.429 . . . . 75.03 110.989 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -127.66 -41.29 1.69 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.842 -0.617 . . . . 71.34 111.406 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -97.06 -37.97 9.94 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.464 0.477 . . . . 72.43 111.581 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 46.0 105.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.865 1.266 . . . . 73.4 113.433 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -168.01 149.61 14.72 Favored Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.53 -0.759 . . . . 71.42 112.407 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.12 133.24 42.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 120.592 0.235 . . . . 71.42 110.617 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -129.54 144.71 51.38 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.853 -0.612 . . . . 74.34 110.549 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -117.91 138.11 52.36 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.884 -0.598 . . . . 75.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.124 -0.941 . . . . 75.3 110.883 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.495 0.188 . . . . 74.15 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 3' ' ' ARG . 2.9 tt -127.43 120.47 28.48 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.94 -0.573 . . . . 73.21 110.506 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.455 ' O ' HD23 ' A' ' 2' ' ' LEU . 74.7 mtp180 -65.82 150.66 48.2 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.775 -0.648 . . . . 71.34 111.996 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -124.99 125.54 44.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.956 -0.565 . . . . 73.23 110.492 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -132.62 150.58 52.14 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.895 -0.593 . . . . 72.22 111.215 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.15 -55.44 0.25 Allowed Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.847 -0.615 . . . . 72.24 112.389 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -98.76 163.4 12.65 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 122.446 0.298 . . . . 74.33 110.766 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.81 -42.46 24.33 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.327 -0.397 . . . . 71.04 111.689 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.37 -13.04 67.36 Favored Glycine 0 C--N 1.34 0.792 0 O-C-N 123.444 0.465 . . . . 63.22 113.627 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.08 152.45 51.67 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.933 0.366 . . . . 75.44 111.476 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 t -95.06 114.13 25.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.51 -0.768 . . . . 74.54 110.128 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -65.99 -6.35 12.41 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.961 1.097 . . . . 62.14 113.961 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -98.0 -53.68 3.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.923 0.342 . . . . 73.32 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 p -100.9 0.74 38.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.325 0.491 . . . . 65.02 112.325 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 57.28 28.87 15.86 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.687 0.795 . . . . 63.35 112.451 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -104.66 142.97 33.73 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.88 -0.6 . . . . 72.21 110.161 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -65.5 125.12 24.18 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.759 -0.655 . . . . 73.24 111.411 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 22' ' ' GLU . 64.1 mt -76.56 142.61 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 109.367 -0.605 . . . . 73.32 109.367 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -121.51 -174.4 2.85 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.453 0.47 . . . . 73.25 111.884 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -19.67 18.21 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.425 0.898 . . . . 73.32 113.425 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.615 ' O ' ' HG2' ' A' ' 23' ' ' MET . 66.3 t80 -68.7 -63.93 0.96 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.759 -0.459 . . . . 62.12 109.759 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.632 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 32.96 -71.12 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.874 1.805 . . . . 64.3 115.874 178.75 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 39.0 mmt 49.71 44.69 24.78 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.664 0.745 . . . . 73.45 110.826 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 22' ' ' GLU . 42.1 p -117.79 169.49 9.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.898 -1.046 . . . . 74.24 112.248 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -104.63 159.54 15.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.365 -0.834 . . . . 73.33 110.073 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -86.65 119.63 27.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.962 0.41 . . . . 74.14 111.391 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.677 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -91.69 -179.24 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 115.326 -0.852 . . . . 61.35 109.537 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.677 ' H ' HG12 ' A' ' 27' ' ' VAL . 86.6 mttt -53.43 -64.4 0.83 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.652 0.982 . . . . 71.52 113.652 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.63 -42.58 2.52 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 112.619 0.6 . . . . 64.13 112.619 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.9 mttt -108.89 141.76 40.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.242 0.46 . . . . 74.21 112.242 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.47 140.26 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.756 -0.831 . . . . 70.13 108.756 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 12' ' ' ALA . 36.5 m-85 -128.48 155.56 44.62 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.367 0.417 . . . . 73.03 111.51 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.677 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 19.8 m80 -65.42 157.92 28.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.977 0.511 . . . . 71.24 110.947 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.3 pp -65.64 -45.62 82.36 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.775 0.322 . . . . 74.42 110.712 178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.21 -27.1 67.72 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.523 -0.762 . . . . 72.11 111.51 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 29.1 m -89.08 -3.33 58.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.761 -0.654 . . . . 50.41 111.882 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -89.17 55.99 3.51 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.527 0.679 . . . . 74.33 110.171 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -120.68 163.41 18.11 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.118 -0.947 . . . . 61.52 111.748 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 33.7 t -65.91 147.02 54.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.439 0.695 . . . . 74.45 111.719 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.07 -12.0 34.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.872 0.693 . . . . 44.53 112.872 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -102.57 -50.38 3.59 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.29 0.478 . . . . 62.42 112.29 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 19.1 p -105.4 -5.2 20.6 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.864 0.32 . . . . 72.25 111.864 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.2 mm-40 64.87 11.98 7.4 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.198 0.999 . . . . 74.42 113.286 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 58.7 tttt -65.79 162.81 17.99 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.562 0.345 . . . . 63.34 111.309 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -99.33 153.02 19.3 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.156 -0.475 . . . . 71.44 111.14 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -104.04 146.29 28.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.646 -0.706 . . . . 74.55 111.02 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 t -120.63 158.28 27.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.408 -0.815 . . . . 65.21 111.032 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.7 134.06 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.094 -0.503 . . . . 73.4 112.184 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -24.41 23.23 Favored Glycine 0 C--N 1.337 0.638 0 O-C-N 123.605 0.566 . . . . 64.22 113.374 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.04 152.67 19.16 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.364 0.266 . . . . 71.24 111.34 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -85.77 136.81 33.18 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.89 -0.595 . . . . 74.23 111.229 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.439 ' OH ' HG13 ' A' ' 27' ' ' VAL . 26.6 p90 -126.21 153.75 44.25 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.543 0.527 . . . . 65.34 111.344 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.0 tp -112.67 131.31 55.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.707 -0.679 . . . . 63.11 109.644 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -94.59 110.58 22.38 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.568 0.543 . . . . 55.3 110.268 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.67 176.04 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 115.659 -0.7 . . . . 70.24 110.77 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -48.03 -35.05 10.38 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.772 1.027 . . . . 75.13 113.772 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.487 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.8 m -120.18 -56.55 1.99 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.825 0.676 . . . . 70.43 112.825 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.591 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.23 -161.3 0.87 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.017 0.377 . . . . 75.52 112.017 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -108.98 143.14 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 122.732 0.413 . . . . 73.24 110.272 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -120.22 125.64 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.906 -0.588 . . . . 72.23 110.081 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 8.4 p -65.57 158.54 26.81 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.072 -0.513 . . . . 72.41 112.181 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 65' ' ' ILE . 9.8 tt0 -63.6 -18.77 64.25 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.71 -0.677 . . . . 74.23 112.402 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -66.27 -52.66 45.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.331 0.493 . . . . 75.13 112.331 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.5 p30 -110.59 15.03 22.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.314 0.487 . . . . 42.3 112.314 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.28 -43.93 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.5 0.72 . . . . 73.54 112.877 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -62.06 -51.45 67.92 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.197 0.599 . . . . 70.12 112.305 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.1 mt-10 -63.98 -42.13 97.31 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.604 0.594 . . . . 63.44 112.604 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.51 ' HE1' HG12 ' A' ' 55' ' ' ILE . 48.8 t-105 -65.2 -46.41 80.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.602 0.361 . . . . 73.13 111.917 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 p -65.26 -29.56 70.34 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.808 0.443 . . . . 70.34 111.717 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.37 -41.48 93.72 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.568 -0.742 . . . . 73.44 111.689 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.4 mt -84.64 -47.29 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 123.411 0.444 . . . . 74.41 111.371 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -79.63 -0.91 35.78 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.845 -0.616 . . . . 73.23 112.569 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -125.48 -138.42 4.95 Favored Glycine 0 C--N 1.339 0.723 0 C-N-CA 121.375 -0.44 . . . . 72.21 112.533 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.56 109.31 0.42 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.398 -0.429 . . . . 61.03 112.514 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.0 m -128.29 131.12 48.7 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.659 0.27 . . . . 52.4 110.836 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.56 -82.25 0.04 OUTLIER Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.797 -0.638 . . . . 63.22 112.522 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.17 -55.37 0.01 OUTLIER Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.423 -0.418 . . . . 75.05 112.49 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -125.15 137.59 54.15 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.696 0.292 . . . . 62.24 110.741 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.65 -120.65 0.79 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.897 -0.592 . . . . 42.13 112.453 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.37 -150.6 5.48 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 121.42 -0.419 . . . . 70.3 112.485 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.5 m -128.06 145.17 51.08 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.647 0.263 . . . . 75.44 110.917 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.03 115.39 0.83 Allowed Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.814 -0.63 . . . . 73.23 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.02 97.68 0.13 Allowed Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.438 -0.41 . . . . 72.21 112.494 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -116.66 144.03 44.91 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 122.297 0.239 . . . . 73.24 110.548 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.89 145.77 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 115.905 -0.588 . . . . 64.22 110.029 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.676 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 5.6 mmt -119.35 150.95 39.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.883 -0.599 . . . . 73.44 110.973 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.31 142.42 14.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.01 -0.541 . . . . 61.23 110.359 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.46 110.26 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 123.444 0.465 . . . . 74.03 110.676 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.98 150.4 51.81 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.741 -0.663 . . . . 65.22 113.452 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.23 111.66 7.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.645 0.378 . . . . 70.12 111.584 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.89 162.29 32.83 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.408 2.072 . . . . 72.51 112.53 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -102.58 110.85 22.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 74.13 110.999 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.611 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 5.8 mp -66.65 150.73 48.62 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.485 -0.78 . . . . 74.54 112.047 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 8.7 ttt -65.9 -41.49 91.41 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.92 -0.582 . . . . 54.23 111.826 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.95 71.48 0.41 Allowed Glycine 0 C--N 1.34 0.759 0 CA-C-N 116.106 -0.497 . . . . 64.12 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.61 -47.89 0.04 OUTLIER Glycine 0 C--N 1.338 0.694 0 C-N-CA 121.35 -0.453 . . . . 74.41 112.75 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -95.8 149.33 21.63 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.311 0.245 . . . . 65.14 111.176 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.93 -41.21 5.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.761 -0.654 . . . . 72.24 111.177 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.68 133.79 8.15 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.473 0.483 . . . . 61.51 112.447 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -121.7 78.79 1.49 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.312 0.577 . . . . 72.42 110.747 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.48 -19.04 26.99 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.395 -0.82 . . . . 62.44 111.982 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 -23.8 29.95 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.392 0.516 . . . . 61.45 112.392 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.11 -29.33 21.92 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.891 0.33 . . . . 75.34 111.891 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -93.35 -1.79 55.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.273 0.358 . . . . 72.2 111.833 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.8 tt -94.95 -45.17 7.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.593 -0.276 . . . . 75.13 111.2 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -105.13 148.25 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 123.27 0.356 . . . . 42.53 111.433 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -140.15 148.07 41.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.653 -0.703 . . . . 74.35 110.92 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -126.71 148.63 49.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.904 -0.589 . . . . 72.22 111.002 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -122.38 149.2 44.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.785 -0.643 . . . . 63.32 110.929 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -118.03 147.5 43.16 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.992 -0.549 . . . . 74.13 111.058 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -123.39 143.99 49.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.793 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.4 p -120.03 -46.1 2.44 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.951 -0.568 . . . . 73.42 111.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -100.15 142.31 31.8 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.393 0.433 . . . . 53.12 110.993 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -128.61 144.11 51.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.854 -0.612 . . . . 72.15 110.486 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -120.67 145.29 47.59 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.923 -0.58 . . . . 75.03 110.923 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -116.85 143.02 46.18 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.929 -0.578 . . . . 71.34 111.126 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -101.25 -41.95 6.51 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.915 -0.584 . . . . 72.43 111.55 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -99.96 145.5 27.77 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.372 0.42 . . . . 73.4 110.622 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.12 -120.41 0.97 Allowed Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.827 -0.624 . . . . 71.42 112.464 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.424 ' H ' HG13 ' A' ' 120' ' ' ILE . 2.1 pp -110.01 140.65 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 122.32 0.248 . . . . 71.42 111.389 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.87 137.44 39.25 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.931 -0.577 . . . . 74.34 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -100.97 138.27 38.24 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.843 -0.617 . . . . 75.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.104 -0.951 . . . . 75.3 110.801 -179.885 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 111.27 0.1 . . . . 74.15 111.27 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 tp -100.59 124.45 46.18 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.374 0.421 . . . . 73.21 110.666 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -65.77 151.13 47.33 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.871 -0.604 . . . . 71.34 111.919 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mt -114.23 137.29 51.97 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.905 -0.589 . . . . 73.23 110.899 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -108.67 150.2 27.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.86 -0.609 . . . . 72.22 110.84 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.58 -119.65 0.67 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.951 -0.568 . . . . 72.24 112.746 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' OE1' HG11 ' A' ' 31' ' ' VAL . 46.4 mt-30 -95.79 173.01 7.68 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.527 0.331 . . . . 74.33 111.133 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.13 -43.72 51.09 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.336 -0.393 . . . . 71.04 111.676 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.462 ' O ' ' HA ' ' A' ' 17' ' ' ARG . . . 113.15 -18.54 21.16 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 121.188 -0.529 . . . . 63.22 113.912 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -123.43 150.23 44.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 117.151 0.476 . . . . 75.44 111.661 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -98.77 120.02 38.51 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.75 -0.659 . . . . 74.54 109.971 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.5 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.15 -6.23 12.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.403 1.26 . . . . 62.14 114.403 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -108.9 -53.94 2.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.469 0.544 . . . . 73.32 112.469 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.0 -2.74 42.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.274 0.472 . . . . 65.02 112.274 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 58.79 24.18 12.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.803 0.841 . . . . 63.35 112.768 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -100.9 147.05 26.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.275 -0.42 . . . . 72.21 110.512 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 86.5 mtt180 -65.33 121.34 14.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.918 -0.583 . . . . 73.24 111.063 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.557 HG12 ' NE2' ' A' ' 33' ' ' HIS . 85.9 mt -83.28 98.54 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.516 0.674 . . . . 73.32 110.106 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -147.82 154.08 40.01 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.354 -1.294 . . . . 73.25 111.442 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.18 -70.78 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.625 1.17 . . . . 73.32 113.939 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 6.1 t80 -59.09 -63.47 1.29 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.158 0.583 . . . . 62.12 111.601 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 29.14 -86.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.911 1.448 . . . . 64.3 114.911 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.724 ' HA ' ' O ' ' A' ' 92' ' ' THR . 43.9 mmm 53.93 26.27 6.12 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.453 0.701 . . . . 73.45 112.261 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -119.71 -179.98 4.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.066 -0.516 . . . . 74.24 111.955 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.78 170.74 7.8 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.628 -0.715 . . . . 73.33 111.45 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -95.86 127.68 42.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 74.14 110.462 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.657 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.99 -178.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.829 -0.623 . . . . 61.35 109.716 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.657 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.1 mttt -43.75 -66.14 0.42 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.838 1.051 . . . . 71.52 113.838 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.4 -41.74 2.59 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.235 0.458 . . . . 64.13 112.235 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.5 mttt -102.36 151.73 21.91 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.301 0.376 . . . . 74.21 111.533 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG11 ' OE1' ' A' ' 7' ' ' GLN . 4.3 t -109.0 131.98 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.813 -0.63 . . . . 70.13 109.462 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 85.9 m-85 -121.15 145.33 47.93 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.473 0.483 . . . . 73.03 111.597 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.71 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.9 m80 -65.51 165.95 11.29 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.897 -0.592 . . . . 71.24 111.13 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -65.43 -48.7 71.86 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.613 0.244 . . . . 74.42 110.854 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.57 -29.98 70.18 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.797 -0.638 . . . . 72.11 111.372 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 24.4 m -83.79 -10.32 58.16 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.488 -0.778 . . . . 50.41 111.816 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 46' ' ' PHE . 32.8 t80 -98.03 55.58 1.17 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.42 0.628 . . . . 74.33 109.845 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -121.04 162.17 20.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.399 -0.818 . . . . 61.52 112.069 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.6 t -66.19 147.05 53.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.589 -0.732 . . . . 74.45 111.774 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.42 -3.97 46.03 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.026 -0.534 . . . . 44.53 111.852 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.14 -47.95 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.961 0.356 . . . . 62.42 111.961 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 28.0 p -109.73 -5.39 15.62 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.1 0.25 . . . . 72.25 111.649 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 65.27 10.73 6.7 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.194 0.997 . . . . 74.42 113.044 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.3 tttp -66.13 161.07 22.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.628 0.371 . . . . 63.34 111.376 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -100.8 152.89 19.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.999 -0.546 . . . . 71.44 111.015 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . 32.1 m-85 -107.97 130.87 55.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.735 -0.666 . . . . 74.55 111.333 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.4 m -120.78 171.35 8.67 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.933 -1.03 . . . . 65.21 110.834 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.52 141.51 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 122.81 0.444 . . . . 73.4 112.177 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.84 -34.03 5.91 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.854 -0.612 . . . . 64.22 113.027 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -96.4 152.24 18.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.622 0.248 . . . . 71.24 111.024 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -92.07 141.65 28.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.832 -0.622 . . . . 74.23 111.36 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -123.42 153.56 40.24 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.535 0.522 . . . . 65.34 111.513 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.94 124.59 47.43 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.404 -0.816 . . . . 63.11 109.639 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.41 111.49 20.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.898 -0.592 . . . . 55.3 110.758 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -88.06 176.37 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.53 -0.759 . . . . 70.24 110.728 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -47.76 -34.41 8.42 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.802 1.038 . . . . 75.13 113.802 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.521 ' H ' HG23 ' A' ' 55' ' ' ILE . 16.1 t -115.12 -64.04 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.446 0.535 . . . . 70.43 112.446 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.2 m-20 -120.48 -162.48 0.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.081 0.4 . . . . 75.52 112.081 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -97.48 134.3 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 122.883 0.473 . . . . 73.24 110.141 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.7 124.51 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.465 0.478 . . . . 72.23 110.34 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.9 p -65.02 160.55 20.62 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.819 -0.628 . . . . 72.41 112.061 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.634 ' O ' HG22 ' A' ' 65' ' ' ILE . 48.3 mt-10 -65.02 -19.8 66.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 74.23 111.881 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -66.98 -41.78 86.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.804 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -110.55 5.63 21.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.597 0.592 . . . . 42.3 112.597 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.22 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.097 0.777 . . . . 73.54 113.097 -178.417 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.515 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.8 t80 -59.52 -52.49 65.34 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.972 0.509 . . . . 70.12 112.25 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.08 -38.55 91.11 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.597 0.591 . . . . 63.44 112.597 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -65.23 -52.53 54.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.531 0.332 . . . . 73.13 111.06 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.3 p -62.38 -28.95 70.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.935 0.494 . . . . 70.34 111.014 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 59.9 tttt -65.02 -38.69 91.74 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.976 -1.011 . . . . 73.44 112.683 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.6 mm -84.14 -47.61 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.027 0.751 . . . . 74.41 113.027 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.04 -30.21 15.42 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.18 0.808 . . . . 73.23 113.18 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.37 149.2 7.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 121.026 -0.607 . . . . 72.21 112.645 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.68 52.22 0.02 OUTLIER Glycine 0 C--N 1.336 0.569 0 C-N-CA 121.572 -0.346 . . . . 61.03 112.558 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 p -130.0 147.38 51.74 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 122.318 0.247 . . . . 52.4 111.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.82 -146.03 17.52 Favored Glycine 0 C--N 1.336 0.569 0 O-C-N 123.696 0.622 . . . . 63.22 112.517 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.01 -141.85 3.23 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 121.416 -0.421 . . . . 75.05 112.511 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t 70.69 -52.0 0.67 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.452 1.101 . . . . 62.24 112.293 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.19 -80.96 0.05 OUTLIER Glycine 0 C--N 1.339 0.733 0 C-N-CA 121.433 -0.413 . . . . 42.13 112.491 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.55 150.71 18.88 Favored Glycine 0 C--N 1.337 0.593 0 C-N-CA 121.465 -0.398 . . . . 70.3 112.489 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.3 m -100.38 132.73 45.6 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 122.311 0.244 . . . . 75.44 110.952 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.06 -111.22 0.55 Allowed Glycine 0 C--N 1.339 0.696 0 CA-C-N 115.825 -0.625 . . . . 73.23 112.505 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 121.51 166.85 13.03 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.449 -0.405 . . . . 72.21 112.72 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.19 130.81 44.92 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.385 0.274 . . . . 73.24 110.882 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.79 141.59 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.907 -0.588 . . . . 64.22 110.054 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 mtt -119.58 151.59 38.41 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.904 -0.589 . . . . 73.44 110.937 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.92 154.07 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.897 -0.592 . . . . 61.23 111.071 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.2 123.01 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 115.66 -0.7 . . . . 74.03 110.748 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.47 175.66 15.43 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-N 115.826 -0.624 . . . . 65.22 113.969 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 119.68 62.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 123.074 0.55 . . . . 70.12 112.092 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.73 170.3 19.33 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.525 2.15 . . . . 72.51 113.141 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.724 ' O ' ' HA ' ' A' ' 23' ' ' MET . 7.8 p -101.94 111.07 23.2 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.991 -0.55 . . . . 74.13 110.147 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.06 153.27 42.7 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.563 0.949 . . . . 74.54 113.563 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 42.67 109.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.32 1.448 . . . . 54.23 113.84 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 21' ' ' TYR . . . -170.39 -39.15 0.03 OUTLIER Glycine 0 C--N 1.337 0.614 0 CA-C-N 114.753 -1.112 . . . . 64.12 112.507 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.438 ' H ' ' HG3' ' A' ' 23' ' ' MET . . . -139.79 -151.26 5.63 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 121.536 -0.364 . . . . 74.41 112.552 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.93 164.06 26.14 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.722 0.307 . . . . 65.14 110.934 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -89.96 -42.36 11.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.209 -0.45 . . . . 72.24 111.674 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.47 -122.07 1.39 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 121.275 -0.488 . . . . 61.51 112.686 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.79 91.6 2.49 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.316 0.579 . . . . 72.42 110.365 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -87.81 -18.7 28.74 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.198 -0.91 . . . . 62.44 112.036 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.08 -23.47 33.1 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.134 0.42 . . . . 61.45 112.134 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.09 -14.85 40.21 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.287 0.367 . . . . 75.34 111.981 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -92.38 5.22 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.402 -0.363 . . . . 72.2 111.769 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -90.65 -41.94 11.04 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.371 -0.377 . . . . 75.13 111.205 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.57 117.99 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.388 -0.369 . . . . 42.53 111.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.8 p -140.24 147.77 40.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.817 -0.629 . . . . 74.35 111.126 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -108.98 148.24 31.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.904 -0.589 . . . . 72.22 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.11 147.03 43.7 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.86 -0.609 . . . . 63.32 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 62.39 125.63 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.925 0.89 . . . . 74.13 112.079 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -114.76 141.3 48.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.751 -0.659 . . . . 73.5 110.852 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.8 t -101.85 124.26 47.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.96 -0.564 . . . . 73.42 111.019 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -130.01 141.73 50.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.859 -0.609 . . . . 53.12 110.492 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -104.9 129.88 53.17 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.892 -0.594 . . . . 72.15 110.527 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.91 149.22 51.74 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.863 -0.608 . . . . 75.03 111.047 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.27 142.94 31.06 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.86 -0.609 . . . . 71.34 111.139 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.33 -41.9 7.23 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.857 -0.61 . . . . 72.43 111.51 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -99.75 145.94 27.11 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.411 0.445 . . . . 73.4 111.017 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 159.96 80.12 0.03 OUTLIER Glycine 0 C--N 1.337 0.613 0 CA-C-N 115.918 -0.583 . . . . 71.42 112.495 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 121' ' ' ASP . 1.6 pp -111.69 -39.07 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 111.811 0.3 . . . . 71.42 111.811 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.503 ' N ' HD12 ' A' ' 120' ' ' ILE . 4.5 t70 -134.11 150.33 51.14 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.469 -0.332 . . . . 74.34 110.514 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 62.79 124.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.89 0.876 . . . . 75.0 111.993 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.502 -0.761 . . . . 75.3 110.845 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.313 0.101 . . . . 74.15 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.57 129.8 41.25 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.334 0.396 . . . . 73.21 110.979 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.79 131.19 45.69 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.871 -0.604 . . . . 71.34 111.964 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.641 ' H ' HD23 ' A' ' 4' ' ' LEU . 1.2 pt? -93.02 135.01 34.58 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.794 -0.639 . . . . 73.23 111.412 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 64.95 146.01 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.108 0.963 . . . . 72.22 112.266 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.9 179.71 18.24 Favored Glycine 0 C--N 1.339 0.696 0 CA-C-N 115.704 -0.68 . . . . 72.24 112.821 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -130.34 177.37 7.39 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.449 0.299 . . . . 74.33 110.688 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.75 -40.77 61.03 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.593 0.357 . . . . 71.04 111.805 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' ARG . . . 134.25 -41.37 1.47 Allowed Glycine 0 C--N 1.34 0.763 0 C-N-CA 121.083 -0.579 . . . . 63.22 113.604 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mp -131.87 158.73 40.57 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.002 0.371 . . . . 75.44 112.002 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 42.3 t -76.71 149.32 36.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.637 -0.71 . . . . 74.54 111.371 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -65.84 -35.72 81.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.294 -0.866 . . . . 62.14 112.097 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -97.58 -39.96 8.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.73 -0.668 . . . . 73.32 111.654 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 m -98.3 147.87 24.22 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.2 0.312 . . . . 65.02 111.016 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.03 37.17 1.09 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.665 0.745 . . . . 63.35 109.424 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -111.87 139.87 47.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 114.913 -1.04 . . . . 72.21 110.733 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 10.2 mmt180 -65.85 116.02 6.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.776 -0.647 . . . . 73.24 111.244 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 33' ' ' HIS . 52.0 mt -72.67 98.29 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.329 0.585 . . . . 73.32 110.01 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -148.2 -174.95 4.72 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.836 -1.074 . . . . 73.25 111.92 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.34 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.906 1.282 . . . . 73.32 113.671 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' ' HG3' ' A' ' 23' ' ' MET . 58.6 t80 -79.29 -56.9 4.0 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 122.511 0.324 . . . . 62.12 110.414 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 28.8 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.57 1.322 . . . . 64.3 114.57 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.414 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 65.1 mtt 47.09 53.1 11.09 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.113 0.965 . . . . 73.45 111.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.5 p -116.05 162.87 16.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.045 -0.979 . . . . 74.24 112.298 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -103.43 151.4 22.84 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.306 -0.861 . . . . 73.33 109.621 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -80.14 120.68 24.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.399 -0.364 . . . . 74.14 111.684 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.706 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.5 t -87.59 -179.24 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-N 115.709 -0.678 . . . . 61.35 109.581 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.706 ' H ' HG12 ' A' ' 27' ' ' VAL . 94.1 mttt -45.96 -64.45 0.74 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.994 1.109 . . . . 71.52 113.994 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.44 -44.96 2.44 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.061 0.393 . . . . 64.13 112.061 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 30.9 mtmt -110.28 151.92 26.79 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.238 0.336 . . . . 74.21 111.717 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -108.74 150.44 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.953 -0.567 . . . . 70.13 110.193 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 51.2 m-85 -132.04 153.64 50.2 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.012 -0.54 . . . . 73.03 111.268 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.873 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 22.6 m80 -65.61 163.37 16.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.985 0.514 . . . . 71.24 110.507 177.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 22' ' ' GLU . 2.6 mt -59.23 -50.2 74.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.61 0.243 . . . . 74.42 110.848 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.68 -22.75 66.08 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.765 -0.652 . . . . 72.11 111.593 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.873 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.1 m -84.78 -1.42 56.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.702 -0.681 . . . . 50.41 111.844 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.16 55.01 1.73 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.505 0.669 . . . . 74.33 109.804 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -120.97 162.04 20.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.234 -0.894 . . . . 61.52 111.58 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 37.3 t -66.21 147.18 53.71 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.811 -0.631 . . . . 74.45 111.744 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.85 -5.88 49.99 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.917 -0.583 . . . . 44.53 112.331 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.09 -50.58 3.07 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.087 0.403 . . . . 62.42 112.087 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.7 p -107.11 -4.81 18.49 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.774 0.287 . . . . 72.25 111.774 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 64.66 11.28 6.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.102 0.961 . . . . 74.42 113.0 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.3 tttt -65.91 161.99 20.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.669 0.388 . . . . 63.34 111.271 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.14 149.51 22.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.054 -0.521 . . . . 71.44 111.12 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -101.25 145.98 28.14 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.699 -0.682 . . . . 74.55 110.778 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.2 m -120.82 158.24 28.02 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.217 -0.901 . . . . 65.21 111.223 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.72 135.8 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 116.091 -0.504 . . . . 73.4 112.066 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -23.24 25.94 Favored Glycine 0 C--N 1.336 0.58 0 O-C-N 123.564 0.54 . . . . 64.22 113.167 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.8 m-20 -97.09 152.78 18.44 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 122.399 0.28 . . . . 71.24 111.108 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -86.96 139.8 30.23 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.233 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -129.93 157.02 43.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.09 -0.504 . . . . 65.34 111.343 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.53 129.39 56.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.668 -0.696 . . . . 63.11 109.663 178.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.98 115.0 27.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.947 -0.569 . . . . 55.3 110.667 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -92.9 176.16 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 115.692 -0.686 . . . . 70.24 110.68 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -48.01 -35.0 10.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.815 1.043 . . . . 75.13 113.815 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.481 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.8 t -120.13 -56.77 1.98 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.756 0.65 . . . . 70.43 112.756 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.605 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.1 m-20 -120.24 -161.53 0.88 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.128 0.418 . . . . 75.52 112.128 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.2 mt -110.28 141.8 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 122.823 0.449 . . . . 73.24 110.033 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 11.8 t -120.77 128.35 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 123.53 0.519 . . . . 72.23 110.403 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.4 158.47 26.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.909 -0.587 . . . . 72.41 112.084 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.3 mt-10 -61.2 -21.68 64.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.009 0.524 . . . . 74.23 111.885 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -67.06 -40.95 87.18 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.666 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -110.38 5.82 21.8 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.667 0.618 . . . . 42.3 112.667 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.56 -53.88 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 113.175 0.805 . . . . 73.54 113.175 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.1 t80 -59.26 -53.41 58.59 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.661 0.615 . . . . 70.12 112.661 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.16 -40.45 94.35 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.898 0.703 . . . . 63.44 112.898 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.8 t-105 -65.5 -50.88 63.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.585 0.354 . . . . 73.13 111.886 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.2 p -62.79 -29.48 70.75 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.972 0.415 . . . . 70.34 111.345 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 38.0 tttm -65.44 -42.15 92.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.124 -0.943 . . . . 73.44 111.893 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.2 mm -84.6 -46.98 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.857 -0.61 . . . . 74.41 111.76 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -76.8 -29.86 56.2 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.664 0.616 . . . . 73.23 112.664 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.1 -124.61 5.21 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.557 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 156.61 118.41 0.58 Allowed Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.408 -0.425 . . . . 61.03 112.537 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 m -100.86 143.12 31.39 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 122.311 0.244 . . . . 52.4 110.914 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.39 102.29 1.78 Allowed Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.894 -0.593 . . . . 63.22 112.556 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.45 -146.28 17.19 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.426 -0.416 . . . . 75.05 112.443 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.5 m -113.96 131.54 56.29 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.624 0.25 . . . . 62.24 110.951 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 148.5 99.01 0.21 Allowed Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.877 -0.601 . . . . 42.13 112.498 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.06 120.43 1.0 Allowed Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.524 -0.369 . . . . 70.3 112.509 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.2 m -124.89 139.37 53.9 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.604 0.238 . . . . 75.44 110.877 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 102.36 2.5 Favored Glycine 0 C--N 1.337 0.63 0 CA-C-N 115.814 -0.63 . . . . 73.23 112.488 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.3 53.01 0.8 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 121.402 -0.427 . . . . 72.21 112.542 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -130.29 132.07 45.74 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.332 0.253 . . . . 73.24 110.791 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -106.11 134.18 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 115.948 -0.569 . . . . 64.22 110.0 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -120.21 155.88 32.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.639 -0.71 . . . . 73.44 111.367 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 50' ' ' ASP . 9.6 p -95.69 147.86 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.664 -0.698 . . . . 61.23 110.324 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.59 109.19 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 120.878 0.37 . . . . 74.03 111.345 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.66 168.66 39.17 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.491 -0.777 . . . . 65.22 113.321 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.25 157.5 81.27 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 119.044 -0.503 . . . . 70.12 111.318 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -76.53 136.14 17.09 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.247 1.965 . . . . 72.51 112.67 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -119.72 120.72 37.4 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.949 -0.569 . . . . 74.13 111.165 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.578 ' HA ' ' OE2' ' A' ' 22' ' ' GLU . 2.5 pp -65.54 151.22 46.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.77 -0.65 . . . . 74.54 112.044 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.404 ' HB2' ' OE1' ' A' ' 22' ' ' GLU . 9.4 ttt -65.49 151.26 46.81 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.95 -0.568 . . . . 54.23 111.655 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -145.05 -80.61 0.04 OUTLIER Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.829 -0.623 . . . . 64.12 112.485 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.36 90.16 0.08 OUTLIER Glycine 0 C--N 1.337 0.618 0 C-N-CA 121.408 -0.425 . . . . 74.41 112.61 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -129.15 132.82 47.39 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.645 0.262 . . . . 65.14 110.766 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -128.79 -36.88 1.79 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.89 -0.595 . . . . 72.24 111.479 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.37 -143.49 12.5 Favored Glycine 0 C--N 1.341 0.835 0 O-C-N 123.385 0.428 . . . . 61.51 112.832 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.78 93.19 2.48 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.351 0.596 . . . . 72.42 110.615 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -87.91 -18.73 28.52 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.254 -0.884 . . . . 62.44 112.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.12 -27.13 30.38 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.027 0.38 . . . . 61.45 112.027 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.08 -10.17 53.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.287 0.367 . . . . 75.34 111.881 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.9 -7.78 55.45 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.417 -0.356 . . . . 72.2 111.868 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.81 -39.09 11.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.434 -0.348 . . . . 75.13 111.074 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.9 mp 65.63 127.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.782 0.833 . . . . 42.53 110.969 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.0 p -100.31 150.88 22.12 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.766 -0.652 . . . . 74.35 111.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.17 148.24 24.82 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.896 -0.593 . . . . 72.22 110.946 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.56 149.06 49.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.896 -0.593 . . . . 63.32 110.929 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.57 147.42 50.34 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.924 -0.58 . . . . 74.13 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.37 145.28 37.81 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.662 0.601 . . . . 73.5 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -103.61 -47.53 4.22 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.853 -0.612 . . . . 73.42 111.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 63.32 127.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.951 0.9 . . . . 53.12 112.073 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 63.04 127.06 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.016 0.926 . . . . 72.15 112.101 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -117.74 131.53 56.59 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.834 -0.621 . . . . 75.03 110.83 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.53 124.25 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.856 0.862 . . . . 71.34 112.242 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.7 -43.4 5.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.871 -0.604 . . . . 72.43 111.483 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -129.32 138.75 51.76 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.411 0.444 . . . . 73.4 110.547 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 100.15 90.17 2.04 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.83 -0.623 . . . . 71.42 112.578 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.5 tp -118.41 130.21 73.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 123.642 0.26 . . . . 71.42 110.628 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -133.24 -42.27 0.88 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.787 -0.642 . . . . 74.34 111.193 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.18 150.09 22.42 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.452 0.47 . . . . 75.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.07 -0.967 . . . . 75.3 110.921 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.482 0.182 . . . . 74.15 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 tp -100.5 -46.18 5.3 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.983 -0.553 . . . . 73.21 110.86 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -65.67 -40.85 92.84 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.917 0.487 . . . . 71.34 112.259 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -99.42 146.54 26.21 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.467 0.48 . . . . 73.23 110.991 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.401 ' HB3' HH21 ' A' ' 19' ' ' ARG . 90.4 m-85 -108.75 145.92 34.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.908 -0.587 . . . . 72.22 110.777 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.34 150.74 8.1 Favored Glycine 0 C--N 1.337 0.625 0 O-C-N 123.723 0.639 . . . . 72.24 112.445 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.598 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 1.1 mp0 -104.05 151.78 22.84 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.918 0.39 . . . . 74.33 111.469 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.78 -10.56 20.66 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.281 -0.872 . . . . 71.04 110.932 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -89.89 82.38 1.4 Allowed Glycine 0 C--N 1.34 0.805 0 CA-C-N 116.006 -0.543 . . . . 63.22 113.064 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -69.93 158.81 34.89 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.098 0.559 . . . . 75.44 111.561 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 26.0 t -80.66 109.68 15.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 121.292 0.568 . . . . 74.54 111.102 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.93 -13.25 59.39 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.105 1.15 . . . . 62.14 114.105 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.5 p -92.84 -50.91 5.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.293 0.479 . . . . 73.32 112.293 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.8 p -100.1 6.14 44.94 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 111.831 0.308 . . . . 65.02 111.831 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.5 45.06 5.38 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.556 1.142 . . . . 63.35 112.78 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -120.26 152.1 38.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.491 -0.777 . . . . 72.21 110.446 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -65.56 122.83 18.13 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.899 -0.591 . . . . 73.24 111.754 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.598 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 33.9 mt -85.91 98.19 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 109.11 -0.7 . . . . 73.32 109.11 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.6 tmt_? -148.23 157.19 43.35 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.286 -0.87 . . . . 73.25 111.617 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 56.5 -71.18 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.858 1.263 . . . . 73.32 114.382 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' ' HG3' ' A' ' 23' ' ' MET . 5.7 t80 -68.13 -62.76 1.25 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.563 0.345 . . . . 62.12 111.58 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 33.62 -84.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.879 1.272 . . . . 64.3 114.158 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 64.4 mtt 51.31 35.75 14.54 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.944 0.898 . . . . 73.45 112.388 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -123.29 174.05 7.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.599 -0.728 . . . . 74.24 111.292 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.75 162.35 12.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 73.33 111.211 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -88.33 118.68 28.12 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.154 -0.475 . . . . 74.14 111.28 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.3 t -89.48 -179.19 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.613 -0.721 . . . . 61.35 109.615 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.697 ' H ' HG12 ' A' ' 27' ' ' VAL . 45.1 mmtt -51.21 -69.41 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.392 0.886 . . . . 71.52 113.392 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -120.38 -38.74 2.86 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.234 0.457 . . . . 64.13 112.234 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 78.2 mttt -104.52 131.84 51.46 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.231 0.332 . . . . 74.21 111.838 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 7.7 t -101.24 141.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 109.26 -0.644 . . . . 70.13 109.26 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 41.3 m-85 -133.79 147.29 51.24 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.38 -0.373 . . . . 73.03 111.547 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.749 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 39.8 m80 -65.85 164.59 14.55 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.891 -0.595 . . . . 71.24 111.235 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.3 pp -65.37 -47.52 76.12 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.485 0.184 . . . . 74.42 110.959 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.24 -28.1 68.46 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.912 -0.586 . . . . 72.11 111.273 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.749 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 21.0 m -85.98 -8.12 58.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.696 -0.683 . . . . 50.41 111.69 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -90.23 63.36 5.73 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.536 0.684 . . . . 74.33 110.261 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 96.2 mttt -120.74 165.79 14.62 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.06 -0.973 . . . . 61.52 111.138 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 45.1 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.391 -0.368 . . . . 74.45 111.705 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.18 -7.23 45.86 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.755 -0.657 . . . . 44.53 110.9 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -109.89 -38.04 5.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.616 -0.72 . . . . 62.42 111.733 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m -113.05 -17.23 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.968 0.359 . . . . 72.25 111.968 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 70.14 4.4 4.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.032 0.933 . . . . 74.42 112.1 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -66.09 167.06 10.57 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.316 0.646 . . . . 63.34 111.427 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -96.36 153.19 17.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.444 -0.344 . . . . 71.44 111.305 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 7.5 m-85 -102.55 157.12 17.16 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.648 -0.705 . . . . 74.55 111.108 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.53 152.89 37.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.542 -0.754 . . . . 65.21 111.087 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.7 128.28 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.914 -0.585 . . . . 73.4 112.218 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.89 -17.13 35.86 Favored Glycine 0 C--N 1.337 0.626 0 O-C-N 123.648 0.593 . . . . 64.22 113.241 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 88' ' ' VAL . 8.1 m-20 -93.43 154.18 18.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.39 0.276 . . . . 71.24 111.137 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -85.26 135.99 33.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.93 -0.577 . . . . 74.23 111.233 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -124.13 163.33 21.74 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.569 0.543 . . . . 65.34 111.58 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 60' ' ' VAL . 11.1 tp -112.94 137.21 51.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.519 -0.764 . . . . 63.11 110.072 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -110.28 108.35 18.42 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.621 -0.881 . . . . 55.3 108.621 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.802 HG21 ' HE1' ' A' ' 68' ' ' TRP . 1.1 tp -118.39 175.69 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 116.053 -0.521 . . . . 70.24 110.939 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.552 ' H ' HG13 ' A' ' 55' ' ' ILE . 4.1 m120 -51.6 -38.42 54.5 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.389 0.676 . . . . 75.13 110.753 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.702 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.6 m -111.63 93.71 4.6 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.979 -1.01 . . . . 70.43 110.301 178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.5 OUTLIER 43.09 -171.27 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.337 1.455 . . . . 75.52 114.863 179.098 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.7 mp -84.7 133.01 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.02 -0.991 . . . . 73.24 111.626 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 53' ' ' LEU . 1.1 m -114.58 132.48 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 123.804 0.69 . . . . 72.23 109.7 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.9 p -65.56 160.31 22.69 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.24 0.83 . . . . 72.41 113.24 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -60.29 -18.05 46.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.173 0.989 . . . . 74.23 112.832 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.63 -47.17 76.52 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.051 0.389 . . . . 75.13 112.051 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.96 15.37 21.78 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.411 0.522 . . . . 42.3 112.411 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -54.97 -53.39 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 112.894 0.702 . . . . 73.54 112.894 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.526 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.6 t80 -59.9 -52.75 64.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.444 0.465 . . . . 70.12 112.023 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.597 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.1 mt-10 -65.39 -38.15 89.13 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.517 0.562 . . . . 63.44 112.517 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.802 ' HE1' HG21 ' A' ' 55' ' ' ILE . 48.7 t-105 -65.42 -51.85 57.39 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.708 0.403 . . . . 73.13 111.504 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.1 p -64.43 -29.67 70.72 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.022 0.439 . . . . 70.34 111.282 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 29.8 tttp -65.71 -43.14 90.03 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.162 -0.926 . . . . 73.44 111.842 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 67' ' ' GLU . 16.5 mm -85.24 -47.15 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.078 -0.51 . . . . 74.41 111.928 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -79.22 -30.0 43.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.847 0.684 . . . . 73.23 112.847 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.3 -137.29 7.85 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.297 -0.477 . . . . 72.21 112.514 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.75 -103.23 1.0 Allowed Glycine 0 C--N 1.337 0.605 0 C-N-CA 121.49 -0.386 . . . . 61.03 112.518 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 m -106.35 137.8 43.66 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.628 0.252 . . . . 52.4 110.883 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.46 100.66 0.15 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.884 -0.598 . . . . 63.22 112.452 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.19 -129.03 9.76 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 121.393 -0.432 . . . . 75.05 112.43 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.0 m -127.86 130.74 49.07 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.688 0.287 . . . . 62.24 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 142.07 123.79 1.9 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.88 -0.6 . . . . 42.13 112.474 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.11 -84.67 1.78 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 121.485 -0.388 . . . . 70.3 112.537 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.8 m -100.41 135.21 42.2 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.644 0.261 . . . . 75.44 110.939 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.33 -141.82 9.45 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.852 -0.613 . . . . 73.23 112.525 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 138.61 117.92 1.57 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.498 -0.382 . . . . 72.21 112.543 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.76 137.09 39.61 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.599 0.238 . . . . 73.24 110.8 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.36 148.98 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 115.898 -0.592 . . . . 64.22 109.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -111.97 142.07 44.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.841 -0.618 . . . . 73.44 110.836 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.7 t -97.89 142.05 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 123.583 0.552 . . . . 61.23 110.502 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 50' ' ' ASP . 4.9 t -65.36 110.26 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 116.142 -0.481 . . . . 74.03 110.796 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.27 154.98 51.52 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.74 -0.664 . . . . 65.22 113.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.35 112.12 8.43 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 122.839 0.455 . . . . 70.12 111.803 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.0 160.19 45.58 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.517 2.145 . . . . 72.51 112.823 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -104.04 115.81 31.09 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.561 0.538 . . . . 74.13 111.209 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.95 135.33 54.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.741 -0.663 . . . . 74.54 111.832 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.71 91.48 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.954 -0.566 . . . . 54.23 111.847 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.11 100.63 2.22 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.502 0.501 . . . . 64.12 112.498 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.19 -130.43 2.58 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.409 -0.424 . . . . 74.41 112.546 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.56 123.95 44.3 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.691 0.289 . . . . 65.14 111.139 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -98.48 82.42 2.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.785 -0.643 . . . . 72.24 110.515 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.46 82.06 0.3 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.104 -0.953 . . . . 61.51 112.578 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.55 12.41 33.56 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.76 0.314 . . . . 72.42 111.396 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.11 -30.25 19.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.109 -0.496 . . . . 62.44 111.773 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.66 -27.64 26.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.119 0.414 . . . . 61.45 112.119 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.17 -24.72 24.37 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.175 0.435 . . . . 75.34 112.175 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.17 -37.15 12.89 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.267 0.354 . . . . 72.2 111.742 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.497 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.6 tp -92.84 -34.94 13.64 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.39 0.431 . . . . 75.13 111.348 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.8 pp 43.9 105.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 124.782 1.233 . . . . 42.53 113.74 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.4 p -115.98 -44.86 2.89 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.593 -0.731 . . . . 74.35 111.371 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -115.86 144.64 43.74 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.502 0.501 . . . . 72.22 110.6 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 pp -112.36 152.22 28.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.878 -0.601 . . . . 63.32 111.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.5 126.41 44.05 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.864 -0.607 . . . . 74.13 110.641 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -130.19 148.87 52.08 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.85 -0.614 . . . . 73.5 110.65 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 p -99.63 124.86 45.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 73.42 111.088 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -111.36 146.64 36.75 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.928 -0.578 . . . . 53.12 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -99.86 -43.31 6.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.899 -0.591 . . . . 72.15 110.974 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.01 144.92 47.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.274 -0.421 . . . . 75.03 110.549 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.64 125.13 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.894 0.878 . . . . 71.34 112.323 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.48 -42.56 6.89 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.844 -0.616 . . . . 72.43 111.51 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -117.67 -42.55 2.85 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.452 0.47 . . . . 73.4 111.2 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 109.45 106.5 3.02 Favored Glycine 0 C--N 1.34 0.761 0 O-C-N 123.373 0.42 . . . . 71.42 112.476 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 120' ' ' ILE . 2.1 pp -110.21 144.61 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.624 0.249 . . . . 71.42 111.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -118.31 141.24 48.73 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.909 -0.587 . . . . 74.34 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -98.91 -44.93 6.16 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.879 -0.6 . . . . 75.0 111.366 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.106 -0.949 . . . . 75.3 110.824 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.309 0.1 . . . . 74.15 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mt 62.45 121.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.969 0.908 . . . . 73.21 112.036 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -65.71 154.01 40.13 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.786 -0.643 . . . . 71.34 111.919 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.1 mt -96.84 136.76 36.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.029 -0.532 . . . . 73.23 111.026 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -99.78 167.12 10.74 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.712 -0.676 . . . . 72.22 110.909 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.66 -153.23 6.83 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 116.228 -0.442 . . . . 72.24 112.884 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.422 ' HB2' HG22 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -123.03 153.22 40.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.92 0.391 . . . . 74.33 111.68 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -123.5 -11.88 7.79 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.151 -0.931 . . . . 71.04 110.547 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.593 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -97.08 90.26 1.11 Allowed Glycine 0 C--N 1.339 0.728 0 CA-C-N 115.606 -0.725 . . . . 63.22 112.613 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 16' ' ' LYS . 5.0 mp -55.54 158.97 3.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.016 0.927 . . . . 75.44 112.14 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 43.0 t -66.36 120.9 14.11 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 121.306 0.575 . . . . 74.54 111.128 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.554 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.84 -15.05 62.55 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.804 -1.089 . . . . 62.14 113.191 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -98.23 -40.46 8.35 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.127 0.417 . . . . 73.32 112.127 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 m -97.92 -26.74 14.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.683 0.623 . . . . 65.02 112.683 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 66.05 31.02 9.26 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 63.35 110.621 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.499 ' C ' HD23 ' A' ' 10' ' ' LEU . 90.4 mttt -103.31 156.42 17.75 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.216 -0.902 . . . . 72.21 110.359 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.2 108.95 2.04 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.06 -0.518 . . . . 73.24 110.943 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.686 HG23 ' HG3' ' A' ' 22' ' ' GLU . 10.3 mt -73.89 97.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.495 -0.557 . . . . 73.32 109.495 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -148.92 166.87 27.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.431 -0.804 . . . . 73.25 112.04 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 35.92 -76.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.523 1.675 . . . . 73.32 115.523 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -69.04 7.43 0.71 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.097 0.559 . . . . 62.12 112.219 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.686 ' HG3' HG23 ' A' ' 18' ' ' ILE . 1.8 mm-40 -88.76 83.66 6.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 123.883 1.801 . . . . 64.3 111.721 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.871 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 19.1 mmt -100.44 82.39 2.47 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 110.237 -3.165 . . . . 73.45 104.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.4 t -157.66 -172.82 4.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.41 -0.813 . . . . 74.24 112.261 -172.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.54 ' HB2' ' N ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -113.78 165.43 12.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.386 -0.825 . . . . 73.33 111.85 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.743 ' H ' ' H ' ' A' ' 90' ' ' GLU . 46.5 mtt180 -105.95 130.73 53.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.942 -0.572 . . . . 74.14 110.758 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.6 t -92.28 -178.93 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.658 -0.701 . . . . 61.35 109.795 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.641 ' H ' HG12 ' A' ' 27' ' ' VAL . 30.0 mtpt -47.09 -62.05 1.6 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.745 1.017 . . . . 71.52 113.745 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -38.75 2.85 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.119 0.414 . . . . 64.13 112.119 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 79.6 mttt -99.52 155.06 17.77 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.457 0.473 . . . . 74.21 111.641 -178.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 6.7 t -120.07 141.15 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 109.087 -0.708 . . . . 70.13 109.087 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 77.7 m-85 -131.72 151.24 51.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.26 0.35 . . . . 73.03 111.669 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.851 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 45.1 m80 -65.45 171.22 4.15 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.208 0.603 . . . . 71.24 111.377 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.7 pp -65.24 -46.1 81.92 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 120.749 0.309 . . . . 74.42 111.009 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -66.3 -21.25 66.26 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.692 -0.685 . . . . 72.11 111.052 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.851 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 3.7 m -94.82 5.82 50.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.26 -0.882 . . . . 50.41 111.594 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HZ ' ' CE1' ' A' ' 52' ' ' TYR . 13.7 t80 -122.41 64.0 0.95 Allowed 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.372 0.606 . . . . 74.33 110.224 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -120.57 159.5 25.11 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.577 -0.738 . . . . 61.52 111.534 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 21.0 t -66.06 146.69 54.38 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.859 -0.609 . . . . 74.45 111.719 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.99 -3.74 58.88 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.662 0.616 . . . . 44.53 112.662 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -117.16 -47.56 2.67 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.161 0.43 . . . . 62.42 112.161 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.63 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.6 p -109.11 -6.76 15.49 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.033 0.382 . . . . 72.25 112.033 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 15.4 mm-40 63.16 16.35 9.3 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.994 0.918 . . . . 74.42 113.196 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.63 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.0 tttp -65.73 161.76 20.04 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.642 0.377 . . . . 63.34 111.777 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -96.87 154.34 17.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.798 -0.637 . . . . 71.44 110.78 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -110.93 146.64 36.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 74.55 111.295 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.471 ' O ' HG21 ' A' ' 88' ' ' VAL . 51.7 m -121.59 161.53 22.23 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.779 -1.1 . . . . 65.21 111.407 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 m -65.53 129.11 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 112.602 0.594 . . . . 73.4 112.602 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.73 6.36 37.93 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.71 -0.677 . . . . 64.22 113.552 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.4 t70 -115.25 154.72 28.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.77 0.285 . . . . 71.24 110.874 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -97.43 130.2 44.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.86 -0.609 . . . . 74.23 110.518 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CE1' ' HZ ' ' A' ' 37' ' ' PHE . 44.6 p90 -126.04 157.46 37.88 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.378 0.424 . . . . 65.34 111.682 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.75 130.66 56.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.371 -0.832 . . . . 63.11 109.801 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.56 105.74 17.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.983 -0.553 . . . . 55.3 110.141 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -86.64 176.1 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.63 -0.713 . . . . 70.24 110.954 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.418 ' H ' HG13 ' A' ' 55' ' ' ILE . 11.4 m120 -47.93 -35.81 11.28 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.673 0.99 . . . . 75.13 113.673 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.507 ' H ' HG23 ' A' ' 55' ' ' ILE . 18.0 t -105.52 -75.28 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.969 0.359 . . . . 70.43 111.969 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.598 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.48 -166.41 1.32 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.252 0.221 . . . . 75.52 111.592 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -89.94 142.79 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.846 0.459 . . . . 73.24 110.419 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 68' ' ' TRP . 21.8 t -120.3 118.57 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 O-C-N 123.6 0.562 . . . . 72.23 109.994 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.3 p -60.75 159.58 10.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.268 -0.424 . . . . 72.41 112.026 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 65' ' ' ILE . 42.4 mt-10 -64.38 -18.4 64.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.824 -0.625 . . . . 74.23 112.678 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -51.94 53.11 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.194 0.442 . . . . 75.13 112.194 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.1 p30 -110.77 15.13 22.08 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.756 0.65 . . . . 42.3 112.756 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.08 -49.06 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.77 0.656 . . . . 73.54 112.77 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.559 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 63.7 t80 -57.88 -53.42 58.43 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.965 0.728 . . . . 70.12 112.965 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.29 -39.03 92.01 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.261 0.467 . . . . 63.44 112.261 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.485 ' HE1' HG12 ' A' ' 55' ' ' ILE . 51.2 t-105 -65.47 -45.85 82.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.834 0.453 . . . . 73.13 111.283 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.6 p -62.98 -29.72 71.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.988 -0.551 . . . . 70.34 111.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 66' ' ' TYR . 41.7 mtmt -65.73 -40.87 92.61 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.917 -0.583 . . . . 73.44 112.177 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.2 mm -84.31 -47.03 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.568 -0.742 . . . . 74.41 111.904 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -79.81 -29.97 40.37 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.811 0.671 . . . . 73.23 112.811 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.94 16.37 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.315 -0.469 . . . . 72.21 112.64 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 158.98 67.15 0.01 OUTLIER Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.492 -0.385 . . . . 61.03 112.469 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.0 m -127.76 -42.74 1.58 Allowed 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.656 0.268 . . . . 52.4 111.318 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.97 -81.3 0.28 Allowed Glycine 0 C--N 1.34 0.755 0 O-C-N 123.434 0.459 . . . . 63.22 112.546 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.09 64.13 0.01 OUTLIER Glycine 0 C--N 1.337 0.632 0 C-N-CA 121.462 -0.399 . . . . 75.05 112.465 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -127.77 137.84 52.55 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.304 0.241 . . . . 62.24 110.717 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.46 -86.01 0.29 Allowed Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.847 -0.615 . . . . 42.13 112.453 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -147.92 -76.89 0.02 OUTLIER Glycine 0 C--N 1.337 0.613 0 C-N-CA 121.423 -0.417 . . . . 70.3 112.465 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -101.01 132.02 46.62 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.64 0.259 . . . . 75.44 110.839 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -118.72 -72.44 0.4 Allowed Glycine 0 C--N 1.336 0.58 0 CA-C-N 115.902 -0.59 . . . . 73.23 112.527 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.94 75.03 0.24 Allowed Glycine 0 C--N 1.337 0.61 0 C-N-CA 121.5 -0.381 . . . . 72.21 112.517 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -111.51 137.26 49.56 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.355 0.262 . . . . 73.24 110.862 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.6 t -125.58 137.05 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 115.835 -0.621 . . . . 64.22 109.904 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 38.4 mmt -110.07 139.88 44.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.703 -0.681 . . . . 73.44 110.743 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.81 150.11 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 115.794 -0.639 . . . . 61.23 111.021 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 50' ' ' ASP . 58.4 t -58.41 109.96 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.795 -0.639 . . . . 74.03 111.008 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.54 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.28 -120.51 0.01 OUTLIER Glycine 0 C--N 1.345 1.052 0 CA-C-N 114.989 -1.005 . . . . 65.22 115.266 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.743 ' H ' ' H ' ' A' ' 26' ' ' ARG . 6.8 mm-40 -52.84 168.9 0.31 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 124.236 1.014 . . . . 70.12 113.034 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -96.91 170.48 0.89 Allowed 'Trans proline' 0 C--N 1.375 1.958 0 N-CA-C 117.686 2.148 . . . . 72.51 117.686 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 23' ' ' MET . 29.7 p -100.2 167.04 10.69 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 110.507 -3.042 . . . . 74.13 105.984 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.871 ' H ' ' HB3' ' A' ' 23' ' ' MET . 1.5 pp -38.77 97.87 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.405 1.097 . . . . 74.54 113.54 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 37.2 mtt -65.92 -43.87 86.82 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 113.529 -1.669 . . . . 54.23 112.18 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.6 -102.14 0.2 Allowed Glycine 0 C--N 1.34 0.803 0 O-C-N 123.535 0.522 . . . . 64.12 112.479 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.0 -68.97 0.02 OUTLIER Glycine 0 C--N 1.337 0.632 0 C-N-CA 121.382 -0.437 . . . . 74.41 112.677 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.88 144.2 28.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.282 0.233 . . . . 65.14 111.067 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -130.39 -44.56 1.12 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.878 -0.601 . . . . 72.24 111.237 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.39 141.61 12.44 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.361 0.413 . . . . 61.51 112.499 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -136.89 87.79 2.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.266 0.555 . . . . 72.42 110.883 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.28 -19.28 26.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.334 -0.848 . . . . 62.44 111.955 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.66 -17.22 39.26 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.429 0.529 . . . . 61.45 112.429 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -86.18 -18.42 32.24 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.211 0.449 . . . . 75.34 112.211 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -88.17 -29.44 20.52 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 111.949 0.351 . . . . 72.2 111.949 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.3 tt -93.84 -39.85 10.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.334 -0.394 . . . . 75.13 111.036 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.1 pp 44.52 112.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 124.986 1.314 . . . . 42.53 114.119 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.1 p -125.14 143.5 50.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.579 -0.737 . . . . 74.35 111.024 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -109.66 149.6 29.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.984 -0.553 . . . . 72.22 110.999 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.85 140.09 50.2 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.844 -0.616 . . . . 63.32 110.98 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.83 147.31 37.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.902 -0.59 . . . . 74.13 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -108.62 150.19 27.86 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.846 -0.616 . . . . 73.5 110.885 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.3 p -98.4 -52.74 3.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.065 -0.516 . . . . 73.42 111.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 61.47 125.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.926 0.891 . . . . 53.12 112.115 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -108.53 118.57 37.13 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.858 -0.61 . . . . 72.15 110.539 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.73 149.42 46.46 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.803 -0.635 . . . . 75.03 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -118.72 121.77 40.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.969 -0.56 . . . . 71.34 111.036 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.78 -43.23 5.62 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.855 -0.612 . . . . 72.43 111.591 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.82 150.24 22.55 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.37 0.419 . . . . 73.4 110.901 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -145.02 146.05 15.99 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.813 -0.631 . . . . 71.42 112.405 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -108.0 146.72 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 O-C-N 123.621 0.248 . . . . 71.42 111.327 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -129.02 130.92 47.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.877 -0.601 . . . . 74.34 110.847 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -102.59 142.02 34.45 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.953 -0.567 . . . . 75.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 N--CA 1.483 1.215 0 C-N-CA 123.925 0.89 . . . . 75.3 112.062 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.379 0.133 . . . . 74.15 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.9 mt -99.96 127.54 46.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.27 -0.423 . . . . 73.21 110.943 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.71 143.7 57.37 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.908 -0.587 . . . . 71.34 111.947 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt -129.8 -38.93 1.45 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.676 0.61 . . . . 73.23 111.241 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -91.79 144.62 25.31 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.413 0.446 . . . . 72.22 111.67 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.7 -109.37 0.79 Allowed Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.343 -0.844 . . . . 72.24 111.873 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.25 152.9 52.06 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.82 0.343 . . . . 74.33 110.823 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -108.78 -10.01 15.17 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.436 -0.802 . . . . 71.04 111.222 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.573 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -108.41 98.17 1.18 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 116.036 -0.529 . . . . 63.22 113.026 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mp -85.5 158.98 20.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.854 0.461 . . . . 75.44 110.513 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 49.9 t -62.63 129.52 40.93 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.535 0.569 . . . . 74.54 112.535 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.23 69.55 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.862 -1.063 . . . . 62.14 112.833 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -92.84 -53.71 4.05 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.266 0.354 . . . . 73.32 111.546 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 3.2 p -106.85 160.95 15.12 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.177 0.298 . . . . 65.02 110.747 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.62 55.41 3.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.315 0.579 . . . . 63.35 110.718 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.606 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 89.0 mttt -120.81 129.57 53.62 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.512 -0.767 . . . . 72.21 110.929 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.57 132.66 49.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.945 -0.57 . . . . 73.24 111.49 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.573 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 22.1 mt -74.2 129.91 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.026 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' H ' ' CG ' ' A' ' 22' ' ' GLU . 26.3 mmt180 -130.61 -174.41 3.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.174 -0.467 . . . . 73.25 111.894 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' MET . . . -56.37 -45.41 80.53 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.372 0.878 . . . . 73.32 113.372 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -71.81 -32.51 67.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.753 0.311 . . . . 62.12 110.604 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.662 ' O ' HD23 ' A' ' 34' ' ' LEU . 5.5 mm-40 -60.11 -34.14 73.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.469 -0.787 . . . . 64.3 112.553 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 73.6 mtm 33.88 104.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.481 1.112 . . . . 73.45 113.218 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 p -123.34 139.82 53.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 74.24 112.0 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 27' ' ' VAL . 2.0 ppp? -95.58 167.67 11.16 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.187 -0.915 . . . . 73.33 110.81 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.11 110.93 18.87 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.925 0.393 . . . . 74.14 111.127 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 25' ' ' MET . 1.6 t -96.96 -178.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.572 -0.74 . . . . 61.35 109.562 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.626 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.8 mttt -52.8 -69.66 0.11 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.728 0.64 . . . . 71.52 112.728 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.83 -42.44 2.51 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.051 0.389 . . . . 64.13 112.051 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.6 mttt -112.26 143.18 43.76 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.348 0.405 . . . . 74.21 111.952 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.3 t -101.01 145.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 115.678 -0.692 . . . . 70.13 109.2 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -133.55 152.22 51.86 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.285 0.476 . . . . 73.03 112.285 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.603 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m170 -65.66 159.29 25.21 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.387 -0.824 . . . . 71.24 112.212 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.1 pp -66.1 -47.87 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 110.314 -0.254 . . . . 74.42 110.314 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.49 -32.98 74.88 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.522 . . . . 72.11 111.46 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.9 m -84.08 -4.0 58.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.921 -0.581 . . . . 50.41 111.647 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 22.3 t80 -94.62 60.18 2.54 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.491 0.663 . . . . 74.33 109.794 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.9 mttt -120.14 164.13 16.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.149 -0.932 . . . . 61.52 111.326 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 31.0 t -65.99 147.08 53.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.821 0.448 . . . . 74.45 111.873 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.88 -5.02 57.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.996 -0.547 . . . . 44.53 111.268 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.78 -40.93 3.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.836 -0.62 . . . . 62.42 111.672 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 m -105.77 -19.03 13.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.388 0.43 . . . . 72.25 111.906 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 mp0 69.41 2.51 3.75 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.073 0.949 . . . . 74.42 112.031 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -66.32 163.82 17.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.133 0.573 . . . . 63.34 111.231 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -94.81 152.41 18.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.291 -0.413 . . . . 71.44 111.374 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.55 145.4 29.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.514 -0.766 . . . . 74.55 111.139 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.7 t -120.77 159.43 25.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.259 -0.882 . . . . 65.21 110.989 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 88' ' ' VAL . 4.0 m -65.77 143.18 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.086 -0.506 . . . . 73.4 112.253 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -33.65 6.15 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 123.616 0.572 . . . . 64.22 113.197 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.02 148.64 22.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.316 0.246 . . . . 71.24 111.377 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.23 143.43 31.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.751 -0.659 . . . . 74.23 111.011 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -130.81 155.21 47.08 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.304 0.377 . . . . 65.34 111.713 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.4 tp -111.5 132.52 54.44 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.7 -0.682 . . . . 63.11 109.651 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -95.93 111.24 23.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.912 -0.585 . . . . 55.3 110.297 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.23 175.98 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.763 -0.653 . . . . 70.24 110.786 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -48.06 -35.09 10.57 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.797 1.036 . . . . 75.13 113.797 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.495 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.2 m -120.15 -56.13 2.02 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.867 0.692 . . . . 70.43 112.867 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.6 m-20 -120.23 -162.33 0.93 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.007 0.373 . . . . 75.52 112.007 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -109.93 143.36 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.932 0.493 . . . . 73.24 109.827 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 6.0 t -120.35 126.33 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 123.488 0.493 . . . . 72.23 110.024 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.3 158.59 25.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.107 -0.497 . . . . 72.41 112.175 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.59 -18.21 28.2 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.299 0.851 . . . . 74.23 113.299 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -65.74 -52.25 52.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.286 0.476 . . . . 75.13 112.286 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.66 15.34 22.05 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.049 0.388 . . . . 42.3 112.049 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.46 -47.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.123 0.569 . . . . 73.54 112.392 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.42 -51.67 58.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.921 0.488 . . . . 70.12 111.879 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.64 ' O ' HD12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -64.39 -45.05 89.32 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.615 0.598 . . . . 63.44 112.615 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 52.9 t-105 -60.94 -45.81 93.2 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.557 0.343 . . . . 73.13 111.807 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 p -67.03 -28.79 68.52 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 70.34 111.178 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.46 -43.5 94.05 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.058 -0.974 . . . . 73.44 111.985 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 67' ' ' GLU . 2.8 mp -84.86 -47.4 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.382 0.426 . . . . 74.41 111.834 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -74.68 -29.85 61.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.896 0.702 . . . . 73.23 112.896 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.8 -117.97 6.04 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 121.282 -0.485 . . . . 72.21 112.543 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.2 96.97 1.39 Allowed Glycine 0 C--N 1.336 0.539 0 C-N-CA 121.404 -0.427 . . . . 61.03 112.481 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.3 p 62.14 -63.03 0.1 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.972 1.309 . . . . 52.4 112.902 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.51 -138.14 6.67 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 121.525 -0.369 . . . . 63.22 112.483 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.36 -77.41 0.02 OUTLIER Glycine 0 C--N 1.336 0.574 0 C-N-CA 121.432 -0.413 . . . . 75.05 112.427 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -108.57 130.84 55.29 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 122.313 0.245 . . . . 62.24 110.738 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.53 64.49 0.47 Allowed Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.955 -0.566 . . . . 42.13 112.487 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.98 97.19 1.65 Allowed Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.45 -0.405 . . . . 70.3 112.419 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -107.22 -41.73 5.05 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.708 0.299 . . . . 75.44 111.396 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -99.13 -156.46 28.99 Favored Glycine 0 C--N 1.34 0.796 0 O-C-N 123.451 0.47 . . . . 73.23 112.606 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.65 112.96 1.89 Allowed Glycine 0 C--N 1.338 0.661 0 C-N-CA 121.423 -0.418 . . . . 72.21 112.397 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.0 142.55 31.33 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.675 0.28 . . . . 73.24 110.945 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.54 143.62 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 115.893 -0.594 . . . . 64.22 109.886 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.1 mtt -120.11 152.79 37.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.944 -0.571 . . . . 73.44 111.621 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.74 152.81 3.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.603 -0.726 . . . . 61.23 110.411 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -65.33 112.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.264 -0.425 . . . . 74.03 110.907 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.86 144.18 46.3 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 115.596 -0.729 . . . . 65.22 113.789 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.05 114.57 17.14 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.947 0.499 . . . . 70.12 111.453 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.62 151.76 83.54 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.564 2.176 . . . . 72.51 112.95 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.5 p -120.04 118.27 30.18 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.98 -0.555 . . . . 74.13 111.245 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -65.89 146.77 54.34 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.853 -0.612 . . . . 74.54 111.598 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.495 ' N ' HD23 ' A' ' 93' ' ' LEU . 88.6 mtp -65.53 -44.45 86.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.116 -0.493 . . . . 54.23 112.259 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.47 ' H ' HD23 ' A' ' 93' ' ' LEU . . . 110.75 77.09 0.88 Allowed Glycine 0 C--N 1.34 0.751 0 O-C-N 123.453 0.471 . . . . 64.12 112.542 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.97 112.84 0.94 Allowed Glycine 0 C--N 1.338 0.668 0 C-N-CA 121.413 -0.423 . . . . 74.41 112.492 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.85 23.85 6.14 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.932 0.396 . . . . 65.14 111.35 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -101.05 98.4 8.85 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.884 -0.598 . . . . 72.24 110.834 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.93 76.55 0.11 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.43 -0.805 . . . . 61.51 112.525 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.26 10.53 15.98 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.71 0.29 . . . . 72.42 111.469 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 -41.32 13.19 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.072 -0.513 . . . . 62.44 111.784 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.57 -20.76 30.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.146 -0.479 . . . . 61.45 112.177 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -87.08 -25.12 24.33 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.97 0.359 . . . . 75.34 111.97 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.08 -14.58 27.11 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.182 0.438 . . . . 72.2 112.182 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.57 -66.46 0.91 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.084 0.24 . . . . 75.13 111.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.9 pp -150.38 136.11 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.445 0.298 . . . . 42.53 111.509 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -129.42 117.88 21.26 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.877 -0.601 . . . . 74.35 110.906 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -132.93 147.92 52.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.867 -0.606 . . . . 72.22 110.685 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 pp -130.54 140.61 50.48 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.816 -0.629 . . . . 63.32 110.987 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -128.48 146.62 50.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.051 -0.522 . . . . 74.13 110.962 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 62.87 125.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.935 0.894 . . . . 73.5 112.134 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -106.12 140.69 38.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.828 -0.623 . . . . 73.42 111.02 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -128.11 146.2 50.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.965 -0.561 . . . . 53.12 110.937 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -100.57 153.32 19.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.808 -0.633 . . . . 72.15 110.996 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -95.22 145.34 25.12 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.949 -0.568 . . . . 75.03 111.007 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.08 151.78 20.58 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.797 -0.638 . . . . 71.34 111.258 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -95.2 -39.88 9.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.875 -0.602 . . . . 72.43 111.646 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -98.56 130.62 45.12 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.404 0.44 . . . . 73.4 110.845 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 131.19 56.68 0.09 OUTLIER Glycine 0 C--N 1.337 0.595 0 CA-C-N 115.792 -0.64 . . . . 71.42 112.404 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.494 HG13 ' H ' ' A' ' 122' ' ' ASP . 2.9 tp -99.62 150.51 5.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 122.312 0.245 . . . . 71.42 110.65 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.83 -9.19 15.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.057 -0.52 . . . . 74.34 112.017 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.494 ' H ' HG13 ' A' ' 120' ' ' ILE . 8.3 m-20 -88.63 -42.56 11.95 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.127 0.267 . . . . 75.0 111.7 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.146 -0.93 . . . . 75.3 110.916 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.355 0.121 . . . . 74.15 111.248 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 3.9 mm? -100.2 137.74 38.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.272 -0.422 . . . . 73.21 110.789 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -65.7 -40.8 92.65 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.948 -0.569 . . . . 71.34 112.122 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.7 tp -129.21 148.07 51.11 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.386 0.429 . . . . 73.23 110.786 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 2' ' ' LEU . 89.2 m-85 -128.69 2.69 5.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.774 -0.648 . . . . 72.22 111.55 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.51 -134.96 8.03 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 116.032 -0.531 . . . . 72.24 112.272 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.33 149.17 25.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.766 0.317 . . . . 74.33 111.314 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.29 -11.16 21.51 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.381 -0.827 . . . . 71.04 111.419 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.549 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -85.02 78.98 1.95 Allowed Glycine 0 C--N 1.342 0.896 0 CA-C-N 116.346 -0.388 . . . . 63.22 113.311 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.46 158.98 30.53 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.043 0.537 . . . . 75.44 111.265 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 38.6 t -68.88 134.36 49.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.135 0.493 . . . . 74.54 112.307 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.02 -34.72 78.74 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.93 -1.032 . . . . 62.14 112.694 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 t -89.56 -53.72 4.4 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.351 0.407 . . . . 73.32 111.511 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.6 p -102.41 154.53 18.99 Favored 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.177 0.298 . . . . 65.02 110.66 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.38 52.21 2.3 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.356 0.598 . . . . 63.35 110.796 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -120.79 133.16 55.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.508 -0.769 . . . . 72.21 110.226 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -65.26 128.4 35.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.4 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.549 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 11.3 mt -71.96 98.66 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.222 0.534 . . . . 73.32 109.861 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' TYR . 77.7 mtp180 -148.39 152.79 37.62 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.226 -0.897 . . . . 73.25 111.391 -178.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 46.64 -73.23 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.796 1.238 . . . . 73.32 113.964 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.513 ' HD1' ' O ' ' A' ' 21' ' ' TYR . 1.2 t80 -84.66 27.73 0.71 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.553 0.692 . . . . 62.12 111.183 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -64.87 -63.99 0.98 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.6 -0.727 . . . . 64.3 111.404 178.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.467 ' O ' HD11 ' A' ' 34' ' ' LEU . 62.9 mtt 36.85 46.89 0.52 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.467 1.107 . . . . 73.45 112.927 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 t -119.34 165.93 13.68 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.544 -0.753 . . . . 74.24 111.689 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.471 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -110.44 165.41 11.81 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.353 -0.839 . . . . 73.33 110.731 178.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -85.03 118.0 24.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.821 0.343 . . . . 74.14 111.577 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.707 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.4 t -94.85 -178.86 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.413 -0.812 . . . . 61.35 109.461 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.707 ' H ' HG12 ' A' ' 27' ' ' VAL . 62.1 mttm -44.85 -64.57 0.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.972 1.101 . . . . 71.52 113.972 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.44 -43.2 2.51 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.492 0.553 . . . . 64.13 112.492 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 68.1 mttt -117.47 156.23 28.35 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.248 0.342 . . . . 74.21 111.842 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 25' ' ' MET . 4.3 t -105.82 147.55 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.8 -0.636 . . . . 70.13 109.817 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -130.5 141.06 50.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.155 -0.475 . . . . 73.03 111.456 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.715 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.2 m80 -65.74 164.96 13.54 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.807 0.443 . . . . 71.24 110.837 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 23' ' ' MET . 4.7 mp -65.14 -49.73 68.74 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.705 0.288 . . . . 74.42 110.522 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.4 -26.0 67.04 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.675 -0.693 . . . . 72.11 111.513 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.715 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -90.12 -7.69 53.11 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.756 -0.656 . . . . 50.41 111.841 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -91.11 55.71 2.95 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.38 0.61 . . . . 74.33 110.674 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.11 160.41 23.76 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.308 -0.86 . . . . 61.52 111.669 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.4 t -66.26 146.96 54.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.905 -0.588 . . . . 74.45 111.555 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -5.78 38.47 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.041 -0.527 . . . . 44.53 111.974 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.29 -50.02 3.58 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.853 0.316 . . . . 62.42 111.853 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.6 p -108.48 -4.65 17.09 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.196 0.31 . . . . 72.25 111.663 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.538 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.4 mm-40 65.09 11.1 6.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.195 0.998 . . . . 74.42 113.069 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.56 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 33.9 tttp -66.07 161.72 21.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.607 0.363 . . . . 63.34 111.305 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -101.65 150.97 22.56 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.939 -0.573 . . . . 71.44 110.888 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -104.34 138.43 40.78 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.665 -0.698 . . . . 74.55 110.9 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -120.54 164.42 16.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.455 -0.793 . . . . 65.21 110.861 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.51 137.33 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.831 0.452 . . . . 73.4 112.125 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -29.42 10.26 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 115.847 -0.615 . . . . 64.22 113.066 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -93.05 152.13 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.412 0.285 . . . . 71.24 111.143 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 12.2 ptp180 -88.22 135.84 33.26 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.921 -0.581 . . . . 74.23 111.613 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -123.41 153.47 40.37 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.941 -0.572 . . . . 65.34 111.237 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 tt -116.05 126.89 54.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.579 -0.737 . . . . 63.11 109.747 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -88.82 113.31 24.24 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.893 -0.594 . . . . 55.3 110.884 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.38 176.23 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 115.712 -0.676 . . . . 70.24 110.666 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -47.87 -34.65 9.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.9 1.074 . . . . 75.13 113.9 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.501 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.6 m -120.1 -57.49 1.94 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.965 0.728 . . . . 70.43 112.965 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.4 m-20 -120.26 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.08 0.4 . . . . 75.52 112.08 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -106.23 137.1 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 122.856 0.463 . . . . 73.24 109.859 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 68' ' ' TRP . 15.8 t -120.83 126.73 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.099 -0.5 . . . . 72.23 110.417 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.19 160.14 22.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.851 -0.613 . . . . 72.41 111.858 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.648 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.6 tt0 -63.84 -19.86 65.36 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.66 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -67.1 -42.27 84.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.268 -0.424 . . . . 75.13 111.762 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.64 7.09 22.21 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.628 0.603 . . . . 42.3 112.628 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.43 -54.53 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.219 0.822 . . . . 73.54 113.219 -178.497 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.3 t80 -58.05 -53.68 55.54 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.728 0.64 . . . . 70.12 112.728 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.14 -39.87 93.61 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.698 0.629 . . . . 63.44 112.698 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.503 ' CD1' HG21 ' A' ' 60' ' ' VAL . 56.3 t-105 -65.38 -49.41 69.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.565 0.346 . . . . 73.13 111.444 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -64.13 -29.12 70.27 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.093 0.473 . . . . 70.34 111.08 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 45.2 tttt -65.11 -42.62 93.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.039 -0.982 . . . . 73.44 111.901 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.9 mm -84.64 -46.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 115.768 -0.651 . . . . 74.41 111.865 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.39 -29.99 53.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.76 0.652 . . . . 73.23 112.76 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.44 150.57 18.89 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.365 -0.445 . . . . 72.21 112.624 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.06 140.45 10.68 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 121.485 -0.388 . . . . 61.03 112.35 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 t -99.74 140.76 33.47 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.692 0.29 . . . . 52.4 110.806 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.76 55.73 0.1 OUTLIER Glycine 0 C--N 1.337 0.613 0 O-C-N 123.667 0.604 . . . . 63.22 112.46 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.98 135.46 2.96 Favored Glycine 0 C--N 1.338 0.661 0 C-N-CA 121.406 -0.426 . . . . 75.05 112.485 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.2 m -101.05 135.59 42.26 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.617 0.245 . . . . 62.24 110.895 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.83 -95.71 0.11 Allowed Glycine 0 C--N 1.338 0.667 0 CA-C-N 115.823 -0.626 . . . . 42.13 112.482 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.24 -95.07 2.15 Favored Glycine 0 C--N 1.337 0.593 0 C-N-CA 121.432 -0.413 . . . . 70.3 112.442 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.9 p 52.87 110.24 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.425 1.09 . . . . 75.44 112.765 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.25 148.72 16.51 Favored Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.679 -0.691 . . . . 73.23 112.491 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.75 98.86 0.82 Allowed Glycine 0 C--N 1.337 0.638 0 C-N-CA 121.41 -0.424 . . . . 72.21 112.517 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.57 145.77 49.98 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.32 0.248 . . . . 73.24 110.87 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -124.72 139.34 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 115.914 -0.585 . . . . 64.22 109.953 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.593 ' SD ' ' HE2' ' A' ' 28' ' ' LYS . 86.8 mtp -120.08 153.31 36.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.865 -0.607 . . . . 73.44 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -91.46 153.03 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.829 -0.623 . . . . 61.23 110.371 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.1 110.34 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 116.156 -0.474 . . . . 74.03 110.786 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.09 150.62 51.9 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 115.646 -0.706 . . . . 65.22 113.767 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.84 120.03 65.7 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.001 0.52 . . . . 70.12 111.664 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.426 ' HB3' ' O ' ' A' ' 23' ' ' MET . 14.7 Cg_exo -69.8 150.56 68.16 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 72.51 112.916 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.25 111.73 18.16 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.595 0.559 . . . . 74.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -66.03 125.17 24.61 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.871 -0.604 . . . . 74.54 112.08 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 64.5 mtt 40.73 -83.03 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.844 1.258 . . . . 54.23 113.87 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.35 -53.63 0.13 Allowed Glycine 0 C--N 1.343 0.933 0 C-N-CA 121.59 -0.338 . . . . 64.12 112.482 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.6 120.16 1.53 Allowed Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.544 -0.36 . . . . 74.41 112.456 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.76 149.86 24.61 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.617 0.245 . . . . 65.14 111.216 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -106.5 -43.63 4.7 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.87 -0.605 . . . . 72.24 111.194 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.03 -98.55 1.11 Allowed Glycine 0 C--N 1.341 0.83 0 O-C-N 123.402 0.439 . . . . 61.51 112.671 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 9.6 m-20 59.8 103.83 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.876 0.871 . . . . 72.42 111.812 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -88.23 -18.96 27.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.483 -0.781 . . . . 62.44 112.163 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.54 -21.79 30.35 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.299 0.481 . . . . 61.45 112.299 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.2 -35.23 18.68 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.013 0.375 . . . . 75.34 112.013 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.0 ptm180 -86.45 -10.54 53.99 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.508 0.559 . . . . 72.2 112.508 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 1.6 tt -95.6 -46.49 6.62 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.085 0.241 . . . . 75.13 111.109 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.9 pp -143.41 130.63 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.295 0.372 . . . . 42.53 111.348 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.2 t -146.49 127.11 14.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.834 -0.621 . . . . 74.35 110.923 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -131.88 124.35 29.34 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.833 -0.621 . . . . 72.22 110.847 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.98 151.38 51.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.76 -0.654 . . . . 63.32 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -97.76 139.45 33.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.861 -0.609 . . . . 74.13 110.852 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 45.35 104.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.769 1.228 . . . . 73.5 113.33 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -114.07 153.5 29.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.643 -0.708 . . . . 73.42 111.238 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 63.13 126.28 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.965 0.906 . . . . 53.12 112.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -127.82 144.52 51.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.721 -0.672 . . . . 72.15 110.424 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -100.02 150.96 21.91 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.967 -0.56 . . . . 75.03 110.771 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.05 -33.71 8.69 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.841 -0.618 . . . . 71.34 111.789 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.34 -38.63 14.01 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.334 0.396 . . . . 72.43 111.974 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -96.07 130.87 42.98 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.355 0.409 . . . . 73.4 110.995 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -127.32 -161.46 10.83 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.808 -0.633 . . . . 71.42 112.653 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.432 HG23 ' OD1' ' A' ' 121' ' ' ASP . 3.6 tp -120.1 151.44 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 122.347 0.259 . . . . 71.42 110.737 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.432 ' OD1' HG23 ' A' ' 120' ' ' ILE . 4.8 p-10 49.5 131.64 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 125.184 1.394 . . . . 74.34 114.063 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 71.65 -47.74 0.67 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.556 1.142 . . . . 75.0 112.549 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 118.07 -0.967 . . . . 75.3 112.046 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.493 0.187 . . . . 74.15 110.572 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 3' ' ' ARG . 2.5 tt -101.94 129.01 48.1 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.91 -0.586 . . . . 73.21 110.52 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.438 ' O ' HD23 ' A' ' 2' ' ' LEU . 99.3 mtt180 -65.75 146.09 55.2 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.842 -0.617 . . . . 71.34 112.032 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.17 141.73 48.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.916 -0.584 . . . . 73.23 110.754 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -132.1 152.74 51.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.903 -0.59 . . . . 72.22 111.025 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.09 -147.88 23.33 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 115.879 -0.601 . . . . 72.24 112.424 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.42 149.61 23.88 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.861 0.362 . . . . 74.33 111.139 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -111.41 -9.4 14.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.319 -0.855 . . . . 71.04 110.818 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.592 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -96.15 86.33 0.92 Allowed Glycine 0 C--N 1.34 0.76 0 CA-C-N 115.666 -0.697 . . . . 63.22 113.091 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 16' ' ' LYS . 2.5 mp -57.39 158.76 5.31 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.532 0.733 . . . . 75.44 111.985 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 49.6 t -76.17 119.1 19.62 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 121.054 0.454 . . . . 74.54 110.424 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.585 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.67 -15.85 63.18 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.543 0.942 . . . . 62.14 113.543 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -97.62 -39.02 9.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.989 0.366 . . . . 73.32 111.989 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.3 m -92.8 -23.79 18.74 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.254 0.465 . . . . 65.02 112.254 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.78 30.24 16.71 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.574 0.702 . . . . 63.35 110.079 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' C ' HD23 ' A' ' 10' ' ' LEU . 68.6 mmtt -113.05 153.43 28.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.859 -1.064 . . . . 72.21 110.802 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -65.51 115.23 5.52 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.886 -0.597 . . . . 73.24 111.077 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 9' ' ' GLY . 21.2 mt -74.43 97.32 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.261 -0.644 . . . . 73.32 109.261 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -148.34 179.8 7.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.85 -1.068 . . . . 73.25 111.844 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 53.25 -80.72 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.844 1.258 . . . . 73.32 113.874 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.0 t80 -75.98 -56.14 4.94 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 122.499 0.32 . . . . 62.12 110.683 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 28.66 -83.21 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.179 1.392 . . . . 64.3 114.741 179.133 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.9 mtt 49.11 48.92 20.34 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.018 0.927 . . . . 73.45 111.747 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.486 HG21 ' O ' ' A' ' 32' ' ' TYR . 21.6 p -126.02 164.0 21.8 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.485 -0.779 . . . . 74.24 112.297 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -96.83 169.15 10.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.388 -0.824 . . . . 73.33 110.616 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -87.98 120.08 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.76 0.315 . . . . 74.14 111.192 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.64 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.7 t -93.45 -179.26 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.692 -0.685 . . . . 61.35 109.542 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.64 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.0 mttt -53.74 -69.95 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.042 0.756 . . . . 71.52 113.042 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.65 -40.78 2.62 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.091 0.404 . . . . 64.13 112.091 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.8 mttt -107.15 136.6 46.72 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.409 0.443 . . . . 74.21 111.994 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 17.3 t -104.46 144.42 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.97 -0.752 . . . . 70.13 108.97 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 23.6 m-85 -132.82 151.47 52.01 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.236 -0.438 . . . . 73.03 111.15 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.886 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 47.1 m80 -65.49 161.33 20.29 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.674 0.39 . . . . 71.24 110.464 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -61.56 -45.23 95.03 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 111.563 0.208 . . . . 74.42 111.563 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.25 -21.75 66.3 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.284 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.886 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 5.5 m -91.8 -6.34 51.91 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.626 -0.715 . . . . 50.41 111.691 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.85 55.56 2.43 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.478 0.656 . . . . 74.33 110.071 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -120.85 160.66 22.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.165 -0.925 . . . . 61.52 111.627 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 38.1 t -66.11 147.08 53.88 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.194 0.598 . . . . 74.45 111.688 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.75 -7.98 32.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.018 -0.537 . . . . 44.53 111.941 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.98 -48.62 4.6 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.958 0.355 . . . . 62.42 111.958 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 24.5 p -113.39 -2.58 13.93 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.187 0.304 . . . . 72.25 111.809 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.552 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.3 mm-40 64.86 12.82 8.07 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.098 0.959 . . . . 74.42 113.095 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.8 tttt -65.99 162.54 19.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.593 0.357 . . . . 63.34 111.378 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.9 152.74 19.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.988 -0.551 . . . . 71.44 111.104 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -105.15 143.24 33.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.723 -0.671 . . . . 74.55 111.073 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 m -120.76 160.47 23.29 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.396 -0.82 . . . . 65.21 111.259 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.8 133.69 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 116.053 -0.521 . . . . 73.4 112.339 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.06 -23.05 26.29 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.997 -0.547 . . . . 64.22 113.515 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -94.26 150.66 20.09 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.761 0.281 . . . . 71.24 111.346 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.67 139.43 31.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.853 -0.612 . . . . 74.23 110.917 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -132.36 156.28 46.9 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.421 0.451 . . . . 65.34 111.795 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.62 127.45 55.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.572 -0.74 . . . . 63.11 109.418 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.76 114.83 27.48 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.981 -0.554 . . . . 55.3 110.543 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -90.44 176.22 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.691 -0.686 . . . . 70.24 110.73 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -47.96 -34.53 9.33 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.813 1.042 . . . . 75.13 113.813 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.479 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.0 m -120.11 -56.62 1.99 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.916 0.71 . . . . 70.43 112.916 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.2 m-20 -120.28 -163.49 1.01 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.058 0.392 . . . . 75.52 112.058 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.1 mp -109.93 143.79 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 122.723 0.409 . . . . 73.24 110.097 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 68' ' ' TRP . 11.0 t -120.2 128.92 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.926 -0.579 . . . . 72.23 109.903 179.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.19 159.44 23.59 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.917 -0.583 . . . . 72.41 112.222 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.5 mt-10 -60.57 -22.8 64.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.005 -0.543 . . . . 74.23 111.746 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.05 -41.48 86.43 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.209 -0.45 . . . . 75.13 111.766 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -110.36 5.53 21.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.484 0.549 . . . . 42.3 112.484 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.72 -52.69 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 113.225 0.824 . . . . 73.54 113.225 -178.294 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 59.9 t80 -62.05 -52.26 64.66 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.599 0.592 . . . . 70.12 112.599 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.566 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.11 -40.08 94.02 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.868 0.692 . . . . 63.44 112.868 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.535 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.5 t-105 -65.44 -52.41 53.36 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.572 0.349 . . . . 73.13 111.452 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 p -61.53 -29.16 69.82 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.147 0.499 . . . . 70.34 111.292 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 7.1 tptp -65.08 -39.3 93.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.213 -0.903 . . . . 73.44 112.489 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.8 mm -84.5 -47.58 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 74.41 113.144 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -97.81 -30.13 12.95 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.548 0.944 . . . . 73.23 113.548 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.62 159.11 23.8 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 121.061 -0.59 . . . . 72.21 112.933 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 169.36 -106.51 0.25 Allowed Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.516 -0.373 . . . . 61.03 112.506 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.8 p 52.94 110.99 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.341 1.056 . . . . 52.4 112.82 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.77 -104.62 0.38 Allowed Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.652 -0.704 . . . . 63.22 112.535 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.55 -55.87 0.42 Allowed Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.508 -0.377 . . . . 75.05 112.495 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.9 m -99.36 -43.73 6.46 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.323 0.249 . . . . 62.24 111.254 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.62 -109.06 2.97 Favored Glycine 0 C--N 1.34 0.758 0 O-C-N 123.446 0.466 . . . . 42.13 112.566 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.5 -54.69 0.62 Allowed Glycine 0 C--N 1.337 0.592 0 C-N-CA 121.409 -0.424 . . . . 70.3 112.424 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.8 m -99.83 141.45 32.62 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.634 0.255 . . . . 75.44 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -101.29 -83.97 1.77 Allowed Glycine 0 C--N 1.337 0.613 0 O-C-N 123.7 0.625 . . . . 73.23 112.517 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.24 54.37 0.01 OUTLIER Glycine 0 C--N 1.337 0.627 0 C-N-CA 121.389 -0.434 . . . . 72.21 112.604 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.17 119.42 24.05 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.66 0.267 . . . . 73.24 110.789 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -128.48 150.66 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.813 -0.631 . . . . 64.22 109.937 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.6 mmt -116.15 146.1 42.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 73.44 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.62 147.92 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.812 -0.631 . . . . 61.23 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.6 t -65.51 111.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 116.113 -0.494 . . . . 74.03 110.917 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.94 156.96 49.17 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.786 -0.643 . . . . 65.22 113.582 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.81 137.62 96.21 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-O 119.099 -0.477 . . . . 70.12 111.577 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.68 153.87 43.78 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.45 2.1 . . . . 72.51 112.776 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 p -115.13 124.62 51.96 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.858 -0.61 . . . . 74.13 110.884 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.61 123.9 20.93 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.972 -0.558 . . . . 74.54 111.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -43.41 88.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.893 -0.594 . . . . 54.23 111.855 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.14 -91.96 0.09 OUTLIER Glycine 0 C--N 1.34 0.791 0 O-C-N 123.469 0.481 . . . . 64.12 112.466 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.24 -146.98 6.56 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.417 -0.42 . . . . 74.41 112.555 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.76 152.08 20.92 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.338 0.255 . . . . 65.14 110.94 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.85 -43.6 7.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.895 -0.593 . . . . 72.24 111.281 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.23 -136.35 12.56 Favored Glycine 0 C--N 1.34 0.759 0 O-C-N 123.347 0.404 . . . . 61.51 112.708 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.5 m-20 -142.55 94.05 2.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.214 0.531 . . . . 72.42 110.168 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.4 ' HG2' HH21 ' A' ' 104' ' ' ARG . 42.9 mt-10 -83.44 -18.71 37.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.226 -0.897 . . . . 62.44 112.221 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -83.1 -22.3 33.45 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.131 0.419 . . . . 61.45 112.131 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -87.2 -37.84 16.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.475 0.31 . . . . 75.34 111.763 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 38.0 ptt180 -87.04 13.47 9.2 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.08 0.4 . . . . 72.2 112.08 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -82.02 -39.35 23.66 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.212 -0.449 . . . . 75.13 111.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -96.41 113.88 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.416 0.447 . . . . 42.53 111.254 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -140.5 152.3 45.49 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.877 -0.601 . . . . 74.35 111.172 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -108.13 146.47 32.63 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.814 -0.63 . . . . 72.22 110.511 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.17 141.24 35.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.984 -0.553 . . . . 63.32 110.915 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -116.81 149.79 39.41 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.887 -0.597 . . . . 74.13 110.806 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.04 130.81 47.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.904 -0.589 . . . . 73.5 110.807 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -106.09 146.51 30.07 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.864 -0.607 . . . . 73.42 111.175 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -106.06 147.37 29.0 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 53.12 110.828 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -124.42 130.95 53.41 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 72.15 110.607 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -128.9 145.91 51.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.839 -0.619 . . . . 75.03 110.831 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -125.39 133.45 52.51 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.891 -0.595 . . . . 71.34 111.167 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.98 -42.67 6.67 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.919 -0.582 . . . . 72.43 111.447 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 45.3 105.55 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.827 1.251 . . . . 73.4 113.414 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -178.1 -57.07 0.07 OUTLIER Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.54 -0.755 . . . . 71.42 112.512 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -117.56 149.09 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 123.6 0.236 . . . . 71.42 111.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.14 129.96 47.36 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.899 -0.591 . . . . 74.34 110.904 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.42 146.29 50.84 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.833 -0.621 . . . . 75.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.119 -0.943 . . . . 75.3 110.885 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 111.466 0.172 . . . . 75.44 111.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 47.6 t -80.98 105.42 12.19 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 121.352 0.596 . . . . 74.54 110.705 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.95 -8.27 21.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.118 . . . . 62.14 114.02 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.1 t -91.71 -50.87 5.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.754 0.279 . . . . 73.32 111.754 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 p -101.41 -2.5 30.71 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.823 0.305 . . . . 65.02 111.823 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 55.66 44.57 26.23 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.909 0.883 . . . . 63.35 111.867 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.32 149.53 42.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.5 -0.773 . . . . 72.21 110.156 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -65.39 124.9 23.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.701 -0.681 . . . . 73.24 112.015 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 22' ' ' GLU . 30.8 mt -87.72 98.37 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.919 -0.771 . . . . 73.32 108.919 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.4 tmt_? -147.84 159.72 43.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.415 -0.811 . . . . 73.25 111.951 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.503 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.34 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.978 1.311 . . . . 73.32 114.36 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.496 ' O ' ' HG3' ' A' ' 23' ' ' MET . 11.9 t80 -68.94 -63.42 1.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.566 0.347 . . . . 62.12 111.359 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 34.28 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.9 1.28 . . . . 64.3 114.271 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.576 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 66.0 mtt 50.81 55.82 8.95 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.93 0.892 . . . . 73.45 111.557 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 32' ' ' TYR . 24.5 p -132.74 165.51 24.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.209 -0.905 . . . . 74.24 112.065 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.512 ' SD ' ' HA3' ' A' ' 89' ' ' GLY . 21.1 ttp -93.45 160.06 14.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.409 -0.814 . . . . 73.33 110.054 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' N ' ' HG2' ' A' ' 25' ' ' MET . 38.5 ttt180 -84.71 115.62 22.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.192 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -87.51 -179.22 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 115.71 -0.677 . . . . 61.35 110.293 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.621 ' H ' HG12 ' A' ' 27' ' ' VAL . 65.7 mttm -51.19 -67.38 0.26 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.475 0.917 . . . . 71.52 113.475 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -120.53 -42.87 2.52 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.121 0.415 . . . . 64.13 112.121 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 72.1 mttt -108.14 144.62 35.29 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.259 0.35 . . . . 74.21 111.896 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 4.9 t -105.47 143.19 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.646 -0.706 . . . . 70.13 109.195 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 33.1 m-85 -134.23 152.16 51.68 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.337 0.398 . . . . 73.03 111.458 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.739 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 38.1 m80 -65.65 159.72 24.24 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.132 0.573 . . . . 71.24 111.436 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.39 -44.32 87.91 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.135 0.272 . . . . 74.42 110.802 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.11 -28.04 68.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.872 -0.604 . . . . 72.11 111.024 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -88.05 -3.26 58.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.463 -0.79 . . . . 50.41 111.424 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -85.85 62.1 7.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.475 0.655 . . . . 74.33 110.066 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.4 mttt -120.26 162.9 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.228 -0.896 . . . . 61.52 111.496 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 8.9 t -66.16 147.5 53.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.918 -0.583 . . . . 74.45 111.978 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 58' ' ' ASP . . . -82.9 -18.63 39.51 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.544 0.572 . . . . 44.53 112.544 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -108.13 -43.75 4.32 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.19 0.441 . . . . 62.42 112.19 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -95.39 -19.99 19.47 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.331 0.394 . . . . 72.25 111.89 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 67.36 2.0 2.69 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.054 0.941 . . . . 74.42 112.357 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -66.16 162.98 18.63 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.223 0.609 . . . . 63.34 111.494 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -97.51 148.3 23.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.04 -0.527 . . . . 71.44 111.119 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -98.7 153.11 18.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.695 -0.684 . . . . 74.55 110.814 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.6 p -120.55 157.64 29.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.438 -0.801 . . . . 65.21 111.199 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.63 132.58 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.045 -0.525 . . . . 73.4 112.004 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -16.02 36.49 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.583 0.552 . . . . 64.22 113.205 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.62 150.67 21.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.336 0.255 . . . . 71.24 110.946 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.16 131.84 34.56 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -121.41 154.73 36.13 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.504 0.503 . . . . 65.34 111.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.61 126.34 51.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.583 -0.735 . . . . 63.11 109.594 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 tt -87.63 113.42 23.3 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.856 -0.611 . . . . 55.3 110.726 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -90.5 176.32 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.427 -0.806 . . . . 70.24 110.755 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -47.94 -35.68 11.12 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.795 1.035 . . . . 75.13 113.795 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.507 ' H ' HG23 ' A' ' 55' ' ' ILE . 54.0 p -109.3 -69.84 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.284 0.476 . . . . 70.43 112.284 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.9 m-20 -120.37 -161.12 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.242 0.217 . . . . 75.52 111.403 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -92.16 138.68 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.605 0.362 . . . . 73.24 110.266 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.535 HG13 ' OD2' ' A' ' 64' ' ' ASP . 88.5 t -120.52 116.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.864 -0.607 . . . . 72.23 110.377 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 p -66.26 158.72 28.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.31 -0.404 . . . . 72.41 111.912 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.593 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.83 -17.96 28.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.419 0.896 . . . . 74.23 113.419 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -65.86 -45.09 83.43 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.793 0.664 . . . . 75.13 112.793 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.535 ' OD2' HG13 ' A' ' 60' ' ' VAL . 10.9 p-10 -110.83 5.12 20.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.03 0.752 . . . . 42.3 113.03 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -53.7 -49.94 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 113.028 0.751 . . . . 73.54 113.028 -178.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.531 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 54.5 t80 -61.61 -53.81 51.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.062 0.393 . . . . 70.12 112.062 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.7 mt-10 -65.39 -38.05 88.84 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.013 0.746 . . . . 63.44 113.013 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.515 ' HE1' HG12 ' A' ' 55' ' ' ILE . 56.1 t-105 -65.35 -53.41 43.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.727 0.411 . . . . 73.13 111.711 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -64.69 -29.6 70.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.765 0.426 . . . . 70.34 111.722 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 36.4 tttp -65.39 -37.43 86.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.368 -0.833 . . . . 73.44 112.684 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 67' ' ' GLU . 30.0 mm -83.97 -47.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.492 0.553 . . . . 74.41 112.492 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -94.76 5.42 51.93 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.912 0.708 . . . . 73.23 112.912 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.619 0 C-N-CA 121.2 -0.524 . . . . 72.21 112.503 179.713 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.554 0.216 . . . . 73.24 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.64 145.83 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 115.93 -0.577 . . . . 64.22 109.922 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -119.57 147.93 43.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.698 -0.683 . . . . 73.44 111.213 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.85 145.17 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.741 -0.663 . . . . 61.23 110.318 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.55 109.31 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-O 120.946 0.403 . . . . 74.03 111.196 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.512 ' HA3' ' SD ' ' A' ' 25' ' ' MET . . . -67.39 150.13 51.41 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.421 -0.809 . . . . 65.22 113.666 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.2 155.73 86.82 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.117 -0.468 . . . . 70.12 111.148 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.0 Cg_endo -81.56 133.88 8.5 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.337 2.025 . . . . 72.51 112.708 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -115.44 117.73 31.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.972 -0.558 . . . . 74.13 111.04 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -65.89 126.54 28.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.771 -0.65 . . . . 74.54 112.184 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 20.5 mmt -65.94 -17.77 64.89 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.843 0.683 . . . . 54.23 112.843 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.43 77.62 2.0 Allowed Glycine 0 C--N 1.342 0.895 0 O-C-N 123.318 0.387 . . . . 64.12 112.967 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.32 111.04 0.49 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.609 -0.329 . . . . 74.41 112.318 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.52 124.18 43.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.664 0.268 . . . . 65.14 111.017 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -124.99 82.97 2.11 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 115.71 -0.677 . . . . 72.24 110.522 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.21 164.15 25.91 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.08 -0.964 . . . . 61.51 112.543 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -128.86 82.66 2.1 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.306 0.574 . . . . 72.42 110.939 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -88.39 -18.88 27.43 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.35 -0.841 . . . . 62.44 112.098 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.78 -31.79 25.72 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.15 0.426 . . . . 61.45 112.15 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.26 -8.78 58.93 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.003 0.371 . . . . 75.34 112.003 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -92.43 -28.88 16.58 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.38 -0.373 . . . . 72.2 111.546 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.72 -42.85 8.93 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.328 0.392 . . . . 75.13 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.414 ' O ' HD12 ' A' ' 106' ' ' ILE . 2.1 pp -130.94 135.59 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.317 -0.401 . . . . 42.53 111.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.6 p -99.3 115.96 30.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.957 -0.565 . . . . 74.35 111.216 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.26 144.13 42.56 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.725 -0.671 . . . . 72.22 110.6 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.65 140.4 34.98 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.989 -0.55 . . . . 63.32 110.956 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -137.84 146.94 44.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.8 -0.636 . . . . 74.13 110.806 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -109.31 124.72 51.41 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.896 -0.593 . . . . 73.5 110.77 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -120.11 146.44 45.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.902 -0.59 . . . . 73.42 111.153 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -128.71 126.56 40.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.819 -0.628 . . . . 53.12 110.404 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--O 1.235 0.307 0 CA-C-N 115.891 -0.595 . . . . 72.15 110.522 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 111.448 0.166 . . . . 75.44 111.448 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.24 110.35 16.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.293 0.568 . . . . 74.54 111.352 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.24 -9.87 36.51 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.843 1.053 . . . . 62.14 113.843 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 t -91.79 -53.86 4.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.988 0.366 . . . . 73.32 111.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.7 p -98.1 -2.49 39.96 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.965 0.357 . . . . 65.02 111.965 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 54.52 43.35 30.44 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.834 0.854 . . . . 63.35 111.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -120.26 151.05 39.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.448 -0.796 . . . . 72.21 110.547 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -65.61 120.98 13.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.815 -0.629 . . . . 73.24 112.011 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.484 HG12 ' NE2' ' A' ' 33' ' ' HIS . 25.7 mt -80.46 98.41 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 115.88 -0.6 . . . . 73.32 109.587 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -147.67 172.63 13.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.488 -0.778 . . . . 73.25 112.019 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.48 -80.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.878 1.271 . . . . 73.32 114.107 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.489 ' O ' ' HG3' ' A' ' 23' ' ' MET . 16.2 t80 -75.6 -54.16 7.43 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.616 0.366 . . . . 62.12 111.044 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 23' ' ' MET . 0.0 OUTLIER 34.01 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.016 1.326 . . . . 64.3 114.419 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 66.5 mtt 51.29 46.52 26.35 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.706 0.802 . . . . 73.45 111.233 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -104.41 159.5 15.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.042 -0.981 . . . . 74.24 112.147 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.55 171.51 7.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.24 -0.891 . . . . 73.33 110.512 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.79 113.03 23.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.884 0.373 . . . . 74.14 111.077 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -97.06 -179.2 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.638 -0.71 . . . . 61.35 109.658 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.641 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.4 mttt -54.37 -69.98 0.11 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.0 0.741 . . . . 71.52 113.0 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -43.3 2.51 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.96 0.355 . . . . 64.13 111.96 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.2 mttt -110.39 141.24 43.72 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.407 0.442 . . . . 74.21 111.47 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 t -101.05 142.54 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.254 -0.647 . . . . 70.13 109.254 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 24.1 m-85 -127.41 150.73 49.5 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.16 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.699 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.6 m80 -65.09 157.84 27.47 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.497 0.498 . . . . 71.24 111.321 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.4 pp -65.29 -45.5 84.16 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.16 0.288 . . . . 74.42 110.641 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 43.5 mt-10 -66.28 -30.21 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.783 -0.644 . . . . 72.11 111.238 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.699 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 33.8 m -84.97 -3.52 58.79 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.65 -0.705 . . . . 50.41 111.662 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -88.89 63.05 6.63 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.554 0.692 . . . . 74.33 110.239 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.57 ' HE2' ' CE1' ' A' ' 45' ' ' HIS . 98.1 mttt -120.43 160.59 22.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.18 -0.918 . . . . 61.52 111.325 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 42.0 t -66.06 146.88 54.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.003 -0.544 . . . . 74.45 111.672 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.1 -3.29 57.24 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.847 -0.615 . . . . 44.53 112.13 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.09 -48.06 3.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.143 0.423 . . . . 62.42 112.143 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 23.3 p -113.71 -3.46 13.54 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.096 0.406 . . . . 72.25 112.096 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 16.3 mm-40 63.44 15.77 9.03 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.942 0.897 . . . . 74.42 113.014 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.2 tttm -65.74 163.97 15.53 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.691 0.396 . . . . 63.34 111.548 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.57 ' CE1' ' HE2' ' A' ' 38' ' ' LYS . 41.6 m-70 -94.08 154.79 17.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.962 -0.563 . . . . 71.44 111.171 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -113.21 142.22 46.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.724 -0.671 . . . . 74.55 110.663 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 p -120.82 159.02 26.32 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.423 -0.808 . . . . 65.21 111.329 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.81 136.29 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 116.014 -0.539 . . . . 73.4 112.103 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.96 -22.49 27.55 Favored Glycine 0 C--N 1.338 0.66 0 CA-C-N 115.93 -0.577 . . . . 64.22 113.21 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.63 151.97 19.54 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.591 0.234 . . . . 71.24 111.175 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -85.45 138.52 32.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.811 -0.631 . . . . 74.23 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.05 154.92 45.12 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.373 0.42 . . . . 65.34 111.527 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tp -109.19 129.92 55.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 63.11 110.015 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -97.59 106.05 18.3 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.811 -0.631 . . . . 55.3 109.992 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -92.92 175.73 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 115.804 -0.635 . . . . 70.24 110.994 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -48.83 -35.93 15.67 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.82 1.044 . . . . 75.13 113.82 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.529 ' H ' HG23 ' A' ' 55' ' ' ILE . 17.2 t -107.66 -73.85 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.341 0.497 . . . . 70.43 112.341 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.4 m-20 -120.35 -166.94 1.37 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.871 0.322 . . . . 75.52 111.871 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -93.72 143.27 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 122.851 0.46 . . . . 73.24 110.192 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.0 t -120.4 127.52 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 116.003 -0.544 . . . . 72.23 110.162 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.34 157.53 28.92 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.168 0.587 . . . . 72.41 112.257 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.668 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -60.28 -22.55 63.27 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.945 -0.57 . . . . 74.23 111.886 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -67.06 -40.59 87.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.257 -0.428 . . . . 75.13 111.613 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -110.33 5.37 21.55 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.694 0.627 . . . . 42.3 112.694 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.42 -52.64 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 113.058 0.762 . . . . 73.54 113.058 -178.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.2 t80 -61.6 -52.34 64.78 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.522 0.564 . . . . 70.12 112.522 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.569 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.11 -39.81 93.62 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.867 0.692 . . . . 63.44 112.867 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 59.9 t-105 -65.4 -54.45 28.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.635 0.374 . . . . 73.13 111.652 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -60.24 -29.49 68.79 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.042 0.449 . . . . 70.34 111.442 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.8 tttm -65.16 -37.59 87.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.138 -0.937 . . . . 73.44 112.632 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.4 mm -84.05 -47.43 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.525 . . . . 74.41 112.419 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -93.17 5.38 51.72 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.701 0.63 . . . . 73.23 112.701 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.633 0 C-N-CA 121.162 -0.542 . . . . 72.21 112.411 179.758 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.525 0.203 . . . . 73.24 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.95 129.0 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.943 -0.571 . . . . 64.22 110.094 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 mtt -120.23 160.96 21.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.605 -0.725 . . . . 73.44 111.367 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.46 148.89 4.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.823 -0.626 . . . . 61.23 110.418 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.42 110.11 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 116.303 -0.408 . . . . 74.03 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.64 151.1 52.25 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 115.494 -0.775 . . . . 65.22 113.431 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.22 148.77 98.33 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-O 118.984 -0.532 . . . . 70.12 111.366 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 23' ' ' MET . 4.4 Cg_exo -79.63 155.3 24.16 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.368 2.045 . . . . 72.51 112.676 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -119.25 116.65 26.69 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.577 0.548 . . . . 74.13 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.89 127.31 31.53 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.844 -0.617 . . . . 74.54 111.526 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.0 mmt 40.97 -82.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.918 1.287 . . . . 54.23 113.719 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.58 -76.39 1.15 Allowed Glycine 0 C--N 1.343 0.92 0 C-N-CA 121.438 -0.41 . . . . 64.12 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.39 154.41 14.2 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.461 -0.4 . . . . 74.41 112.513 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 60.68 149.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.166 0.987 . . . . 65.14 112.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -97.91 -41.78 7.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.709 -0.678 . . . . 72.24 111.244 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.87 121.61 0.77 Allowed Glycine 0 C--N 1.34 0.791 0 O-C-N 123.392 0.432 . . . . 61.51 112.38 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -137.25 88.76 2.37 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.372 0.606 . . . . 72.42 110.57 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 11.8 tt0 -88.18 -18.94 27.63 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.219 -0.901 . . . . 62.44 111.671 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -84.53 -17.02 40.26 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.449 0.537 . . . . 61.45 112.449 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.12 -38.88 16.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.045 0.387 . . . . 75.34 112.045 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.422 HH21 ' HG3' ' A' ' 101' ' ' GLU . 7.7 ppt_? -88.27 2.86 51.47 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.24 0.459 . . . . 72.2 112.24 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 4.8 tp -95.54 -40.77 9.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.362 -0.381 . . . . 75.13 111.187 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 pp -97.77 152.95 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.386 0.429 . . . . 42.53 111.53 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -116.46 -27.05 6.88 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.745 -0.661 . . . . 74.35 111.701 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 64.59 128.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.013 0.925 . . . . 72.22 112.029 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -129.28 153.51 47.73 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.669 -0.696 . . . . 63.32 110.822 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.19 149.2 21.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.964 -0.562 . . . . 74.13 111.132 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.37 -34.59 10.24 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.811 -0.631 . . . . 73.5 111.18 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.4 p 41.49 109.04 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.767 1.227 . . . . 73.42 113.887 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 64.41 131.95 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.037 0.935 . . . . 53.12 112.123 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.465 0.285 0 CA-C-N 115.662 -0.699 . . . . 72.15 110.933 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 111.683 0.253 . . . . 75.44 111.683 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.2 120.92 7.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.457 0.703 . . . . 74.54 112.805 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.9 66.45 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.322 1.23 . . . . 62.14 114.322 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -89.08 -53.91 4.36 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.348 0.87 . . . . 73.32 113.348 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 p -97.95 6.35 47.8 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.447 0.536 . . . . 65.02 112.447 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.09 51.88 5.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.305 1.042 . . . . 63.35 112.918 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 55.1 mmtt -120.02 144.78 47.35 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.391 -0.822 . . . . 72.21 110.571 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -56.97 123.81 16.47 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.882 0.697 . . . . 73.24 112.882 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.418 HG21 HG21 ' A' ' 24' ' ' THR . 16.4 mt -84.17 135.12 25.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.549 -0.75 . . . . 73.32 110.036 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' H ' ' CG ' ' A' ' 22' ' ' GLU . 99.2 mtt180 -139.03 -173.74 3.66 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.035 0.534 . . . . 73.25 112.288 -177.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.587 ' O ' ' HB3' ' A' ' 93' ' ' LEU . . . -67.61 3.12 1.49 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.693 1.368 . . . . 73.32 114.693 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 94' ' ' MET . 1.8 t80 -117.67 -33.44 4.54 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.591 0.71 . . . . 62.12 109.187 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 5.6 mm-40 -56.09 -21.49 22.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 115.393 1.627 . . . . 64.3 115.393 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' ' HB ' ' A' ' 92' ' ' THR . 32.0 mtt 63.63 135.44 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 118.545 0.612 . . . . 73.45 110.895 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.73 ' H ' ' HA ' ' A' ' 92' ' ' THR . 3.9 p -151.5 127.11 10.13 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.34 0.867 . . . . 74.24 113.34 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.578 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -120.31 147.04 45.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.281 178.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.815 ' H ' ' H ' ' A' ' 90' ' ' GLU . 21.1 ttt180 -74.07 110.39 8.32 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.168 0.508 . . . . 74.14 111.888 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.1 t -103.94 -178.91 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.151 -0.931 . . . . 61.35 109.239 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.65 ' H ' HG12 ' A' ' 27' ' ' VAL . 95.7 mttt -51.4 -66.13 0.44 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.992 0.738 . . . . 71.52 112.992 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.71 -42.46 2.52 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.318 0.488 . . . . 64.13 112.318 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 38.5 mttm -115.96 148.39 40.14 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.05 0.389 . . . . 74.21 112.05 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 25' ' ' MET . 21.4 t -100.75 151.66 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.898 -0.779 . . . . 70.13 108.898 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.463 ' H ' ' HE2' ' A' ' 25' ' ' MET . 64.1 m-85 -131.72 153.73 49.74 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.79 0.663 . . . . 73.03 112.79 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.715 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 2.9 m80 -65.91 159.83 24.73 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.887 -1.051 . . . . 71.24 113.029 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.602 ' HB3' ' HB2' ' A' ' 23' ' ' MET . 2.4 pp -56.29 -48.17 77.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.454 -0.573 . . . . 74.42 109.454 174.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' H ' ' HG ' ' A' ' 34' ' ' LEU . 45.5 mt-10 -65.35 -29.7 70.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.419 -0.81 . . . . 72.11 110.579 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.715 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -93.15 4.07 54.61 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.402 -0.817 . . . . 50.41 111.207 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.654 ' HA ' HD13 ' A' ' 59' ' ' ILE . 27.4 t80 -133.96 52.47 2.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.527 0.68 . . . . 74.33 109.858 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 157.45 33.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.504 -0.771 . . . . 61.52 111.238 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.1 t -66.38 139.55 58.02 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.058 0.223 . . . . 74.45 110.482 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.36 2.23 55.82 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.823 0.675 . . . . 44.53 112.823 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -116.45 -50.87 2.62 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.251 0.463 . . . . 62.42 112.251 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.543 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 18.5 p -99.8 -3.8 31.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.584 0.231 . . . . 72.25 111.422 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.12 9.9 5.06 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.301 1.04 . . . . 74.42 113.204 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.543 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 12.9 tptm -66.24 157.67 30.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.792 0.329 . . . . 63.34 111.271 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.409 ' HB3' ' OE2' ' A' ' 97' ' ' GLU . 10.0 p80 -105.61 145.53 30.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.663 -0.699 . . . . 71.44 110.632 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.22 135.51 40.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.846 -0.616 . . . . 74.55 110.928 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 m -120.78 171.49 8.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.878 -1.055 . . . . 65.21 111.258 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.32 124.79 20.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 122.883 0.473 . . . . 73.4 111.944 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.08 6.3 37.02 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.763 -0.653 . . . . 64.22 113.843 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -118.36 147.56 43.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.123 0.461 . . . . 71.24 111.349 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -86.11 139.2 31.32 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.82 -0.627 . . . . 74.23 111.0 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.541 ' OH ' HG13 ' A' ' 27' ' ' VAL . 39.2 p90 -137.97 158.52 44.17 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.457 0.473 . . . . 65.34 111.925 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 65' ' ' ILE . 5.0 tt -120.09 129.34 54.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.228 -0.896 . . . . 63.11 108.795 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 55' ' ' ILE . 3.2 tt -89.43 115.65 27.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.105 -0.498 . . . . 55.3 111.699 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.2 tp -86.24 176.62 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 115.203 -0.908 . . . . 70.24 109.713 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.491 HD21 ' CB ' ' A' ' 108' ' ' ARG . 14.7 m-80 -47.71 -38.41 15.17 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.578 0.955 . . . . 75.13 113.578 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.3 t -120.56 -49.57 2.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.774 0.657 . . . . 70.43 112.774 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.567 ' O ' HG22 ' A' ' 55' ' ' ILE . 1.5 m-20 -116.35 -158.89 0.7 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.272 0.471 . . . . 75.52 112.272 -178.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' A' ' 37' ' ' PHE . 4.5 mp -120.16 134.85 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.12 0.568 . . . . 73.24 109.862 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 68' ' ' TRP . 28.6 t -121.08 127.7 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 123.54 0.525 . . . . 72.23 110.552 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.6 p -65.85 149.64 49.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.351 0.407 . . . . 72.41 111.393 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.514 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.14 -18.66 26.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.319 0.859 . . . . 74.23 113.319 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -65.78 -51.38 59.57 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.093 0.405 . . . . 75.13 112.093 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.8 p30 -110.89 15.36 21.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.556 0.576 . . . . 42.3 112.556 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -56.76 -46.47 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 N-CA-C 112.774 0.657 . . . . 73.54 112.774 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.35 -49.21 70.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.874 0.469 . . . . 70.12 111.702 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -65.7 -28.98 69.47 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.848 0.684 . . . . 63.44 112.848 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.546 ' HE1' HG12 ' A' ' 55' ' ' ILE . 58.3 t-105 -62.87 -57.11 11.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.683 0.253 . . . . 73.13 111.683 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.6 p -66.95 -30.39 70.51 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.883 0.373 . . . . 70.34 111.587 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -66.09 -41.43 90.65 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.285 -0.87 . . . . 73.44 112.578 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 67' ' ' GLU . 43.9 mm -84.66 -32.78 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.538 0.57 . . . . 74.41 112.538 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -68.71 -30.19 68.78 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.062 0.764 . . . . 73.23 113.062 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.503 ' HA2' ' ND2' ' A' ' 111' ' ' ASN . . . . . . . . 0 C--N 1.343 0.928 0 C-N-CA 121.474 -0.394 . . . . 72.21 113.187 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 120.565 0.222 . . . . 73.24 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 t -115.22 144.59 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.875 -0.602 . . . . 64.22 109.9 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.7 mmt -120.08 145.35 46.96 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.777 -0.647 . . . . 73.44 111.224 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.24 157.23 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.667 -0.697 . . . . 61.23 110.513 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 110.17 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 116.041 -0.527 . . . . 74.03 111.082 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 -120.68 0.01 OUTLIER Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.245 -0.889 . . . . 65.22 114.93 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.815 ' H ' ' H ' ' A' ' 26' ' ' ARG . 16.2 mt-10 -50.91 158.6 1.12 Allowed Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 124.497 1.119 . . . . 70.12 113.07 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 24' ' ' THR . 32.8 Cg_endo -70.11 150.71 66.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.347 2.031 . . . . 72.51 115.286 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.73 ' HA ' ' H ' ' A' ' 24' ' ' THR . 9.4 p -102.25 109.35 21.0 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 113.85 -1.523 . . . . 74.13 108.731 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.658 ' N ' ' HA ' ' A' ' 23' ' ' MET . 3.8 mm? -66.32 111.09 3.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.914 -0.585 . . . . 74.54 112.137 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.46 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 65.6 mtt -18.6 129.24 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.306 1.443 . . . . 54.23 114.765 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.418 ' HA2' ' CD2' ' A' ' 21' ' ' TYR . . . -148.95 -132.64 2.14 Favored Glycine 0 C--N 1.34 0.777 0 CA-C-N 115.445 -0.798 . . . . 64.12 112.688 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.16 26.6 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.525 -0.369 . . . . 74.41 112.763 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.409 ' OE2' ' HB3' ' A' ' 45' ' ' HIS . 41.5 mt-10 -131.35 156.84 44.82 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.518 0.327 . . . . 65.14 111.252 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -127.33 -43.01 1.64 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.21 -0.45 . . . . 72.24 111.676 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.8 5.4 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 121.137 -0.554 . . . . 61.51 113.224 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.46 100.05 2.69 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.183 0.593 . . . . 72.42 109.88 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.7 -17.76 37.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.244 -0.889 . . . . 62.44 112.745 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.4 -11.58 1.97 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 114.393 1.257 . . . . 61.45 114.393 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.61 -2.76 30.76 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.906 0.706 . . . . 75.34 112.906 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -90.64 11.03 23.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 111.878 0.325 . . . . 72.2 111.878 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.8 -34.49 11.87 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.061 0.393 . . . . 75.13 112.061 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.822 HD13 ' H ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -87.68 157.6 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.496 0.554 . . . . 42.53 112.496 -178.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 73' ' ' GLY . 22.8 p -134.67 161.29 35.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.448 -0.797 . . . . 74.35 110.787 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.491 ' CB ' HD21 ' A' ' 56' ' ' ASN . 2.9 tmt_? -122.09 -58.89 1.7 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.611 -0.268 . . . . 72.22 111.376 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.95 148.23 38.99 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.184 0.303 . . . . 63.32 111.07 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -91.91 125.2 36.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.944 -0.571 . . . . 74.13 111.103 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.503 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 4.5 p30 -134.55 161.83 33.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.588 -0.733 . . . . 73.5 110.778 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.8 p -85.58 115.35 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.275 -0.421 . . . . 73.42 111.559 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -135.76 157.05 47.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.621 -0.718 . . . . 53.12 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 N--CA 1.466 0.348 0 CA-C-N 116.05 -0.523 . . . . 72.15 111.017 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 111.8 0.296 . . . . 75.44 111.8 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.576 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.5 t -60.65 135.01 57.64 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.603 0.594 . . . . 74.54 112.603 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.17 82.57 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.838 -1.074 . . . . 62.14 113.015 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 m -89.38 -52.6 4.96 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.211 0.319 . . . . 73.32 111.773 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 2.6 p -102.94 155.54 18.29 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.093 0.245 . . . . 65.02 110.534 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.79 53.17 2.33 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.333 0.587 . . . . 63.35 110.878 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -120.93 135.19 55.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.5 -0.773 . . . . 72.21 109.783 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -65.16 135.98 56.13 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.828 -0.624 . . . . 73.24 112.536 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.476 HG23 ' CB ' ' A' ' 22' ' ' GLU . 57.6 mt -87.37 125.07 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.48 -0.782 . . . . 73.32 109.248 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 77.8 mtp180 -112.15 -174.63 2.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.179 0.436 . . . . 73.25 112.179 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.27 63.88 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.075 0.768 . . . . 73.32 113.075 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -77.78 0.24 24.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 122.965 0.506 . . . . 62.12 110.476 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.642 ' OE2' ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -96.34 109.94 22.36 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.926 0.87 . . . . 64.3 112.453 -178.021 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.7 mtm -106.6 88.39 2.75 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.597 -1.638 . . . . 73.45 107.85 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -104.13 163.92 12.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.57 -1.196 . . . . 74.24 113.047 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 88' ' ' VAL . 13.9 ptm -107.09 172.23 6.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.642 -1.163 . . . . 73.33 109.911 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -89.2 108.64 19.73 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.667 0.27 . . . . 74.14 110.36 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.59 175.72 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.96 -0.564 . . . . 61.35 110.013 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.588 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.7 mttt -54.16 -67.29 0.27 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.279 0.844 . . . . 71.52 113.279 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.56 -42.34 2.54 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.169 0.433 . . . . 64.13 112.169 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.7 mttt -118.51 146.17 44.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.043 0.386 . . . . 74.21 112.043 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -101.65 147.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.626 -0.715 . . . . 70.13 109.276 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -127.0 162.09 26.83 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.302 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.643 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.7 m80 -65.13 154.77 36.98 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.879 0.472 . . . . 71.24 111.226 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.87 -44.07 90.9 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.805 -0.443 . . . . 74.42 109.805 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 41.1 mt-10 -66.17 -33.91 76.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.636 -0.711 . . . . 72.11 111.327 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.4 m -80.99 0.59 34.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.075 -0.511 . . . . 50.41 111.779 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -90.46 57.62 3.72 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.425 0.631 . . . . 74.33 110.409 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.492 ' HD3' ' CE1' ' A' ' 45' ' ' HIS . 9.7 mtmp? -120.07 164.52 16.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.292 -0.867 . . . . 61.52 111.244 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.5 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.088 0.555 . . . . 74.45 111.86 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.05 -10.93 48.7 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.93 0.715 . . . . 44.53 112.93 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -110.4 -50.26 2.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.349 0.5 . . . . 62.42 112.349 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.2 p -103.46 -6.56 21.71 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.7 mp0 63.74 14.95 8.63 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.06 0.944 . . . . 74.42 113.19 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.638 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 57.5 tttt -65.68 163.25 16.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.47 0.308 . . . . 63.34 111.411 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.492 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 56.8 m-70 -95.19 154.66 17.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.047 -0.524 . . . . 71.44 111.139 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -112.91 137.82 50.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.736 -0.665 . . . . 74.55 110.967 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 t -120.64 162.44 19.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.309 -0.859 . . . . 65.21 110.848 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.58 141.6 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.086 -0.506 . . . . 73.4 112.17 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.76 6.07 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.669 0.605 . . . . 64.22 113.112 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.7 150.65 20.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.63 0.253 . . . . 71.24 110.9 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -87.51 143.38 27.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.798 -0.637 . . . . 74.23 111.236 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -128.17 156.46 42.86 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.526 0.516 . . . . 65.34 111.343 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 tt -117.32 126.96 53.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.663 -0.699 . . . . 63.11 109.768 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.11 109.23 20.48 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.898 -0.592 . . . . 55.3 110.471 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.06 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 115.673 -0.694 . . . . 70.24 110.945 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.7 m-80 -47.96 -35.82 11.43 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.788 1.033 . . . . 75.13 113.788 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.503 ' H ' HG23 ' A' ' 55' ' ' ILE . 18.5 t -106.38 -73.89 0.67 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.846 0.313 . . . . 70.43 111.846 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.597 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.49 -163.37 1.01 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.308 0.243 . . . . 75.52 111.345 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -91.06 140.36 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 122.651 0.38 . . . . 73.24 110.412 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 68' ' ' TRP . 46.5 t -120.47 120.63 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 72.23 110.093 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -65.19 159.92 22.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.98 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.553 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -64.26 -18.32 64.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.795 -0.638 . . . . 74.23 112.592 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -66.04 -50.71 63.21 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.083 0.401 . . . . 75.13 112.083 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.406 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.1 p30 -110.85 15.18 21.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.864 0.69 . . . . 42.3 112.864 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -56.09 -51.45 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.244 0.618 . . . . 73.54 112.6 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -59.17 -52.71 64.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.117 0.567 . . . . 70.12 112.485 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 71' ' ' ILE . 41.7 mt-10 -62.59 -43.52 98.61 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.584 0.587 . . . . 63.44 112.584 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.476 ' HE1' HG12 ' A' ' 55' ' ' ILE . 55.2 t-105 -65.17 -42.19 93.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.752 0.421 . . . . 73.13 111.835 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 p -67.07 -28.88 68.56 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.096 0.558 . . . . 70.34 111.295 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.85 -43.63 98.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.199 -0.91 . . . . 73.44 112.086 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.0 mp -84.79 -47.37 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 123.364 0.415 . . . . 74.41 111.596 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -69.67 -29.84 67.38 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.961 0.726 . . . . 73.23 112.961 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.623 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.776 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.564 0.221 . . . . 73.24 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 t -112.45 143.36 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 115.892 -0.594 . . . . 64.22 109.975 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.3 mmt -120.08 148.65 43.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.914 -0.584 . . . . 73.44 110.978 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.87 149.67 5.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.831 -0.622 . . . . 61.23 110.63 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.501 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 4.4 t -65.29 109.99 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 116.198 -0.455 . . . . 74.03 110.713 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' H ' ' CE ' ' A' ' 25' ' ' MET . . . -66.25 146.64 49.18 Favored Glycine 0 C--N 1.342 0.912 0 CA-C-N 115.557 -0.747 . . . . 65.22 113.946 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.92 111.6 6.85 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 122.96 0.504 . . . . 70.12 111.776 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -62.79 155.42 59.74 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 122.749 2.299 . . . . 72.51 113.105 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.5 p -120.09 111.29 17.68 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 74.13 111.251 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.15 118.39 9.82 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.78 -0.645 . . . . 74.54 111.806 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 90.7 mtp 40.76 105.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.751 1.22 . . . . 54.23 113.762 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.95 -172.67 29.82 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.671 -0.695 . . . . 64.12 112.926 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -153.08 147.26 16.58 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 112.239 -0.344 . . . . 74.41 112.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -98.17 137.66 36.61 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.64 0.259 . . . . 65.14 110.943 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.71 -42.45 7.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.816 -0.629 . . . . 72.24 111.269 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.57 153.48 24.57 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.414 0.446 . . . . 61.51 112.671 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.6 m-20 -143.21 93.97 2.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.286 0.565 . . . . 72.42 110.062 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -82.11 -18.91 41.29 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.266 -0.879 . . . . 62.44 112.355 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 -22.59 30.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.315 0.487 . . . . 61.45 112.315 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.18 -36.54 17.97 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.004 0.372 . . . . 75.34 112.004 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 16.7 ptm180 -84.09 -9.18 58.81 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.43 0.53 . . . . 72.2 112.43 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.8 tt -93.87 -47.21 6.85 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.196 0.31 . . . . 75.13 110.756 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.61 167.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 125.135 1.374 . . . . 42.53 114.361 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -142.35 123.84 14.88 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.721 -0.672 . . . . 74.35 110.848 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.21 147.08 27.48 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.935 -0.575 . . . . 72.22 110.931 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.56 154.54 18.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.795 -0.639 . . . . 63.32 110.887 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.28 130.45 39.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.01 -0.541 . . . . 74.13 111.086 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.99 152.79 19.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.82 -0.627 . . . . 73.5 111.227 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -97.53 146.17 25.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.928 -0.578 . . . . 73.42 111.145 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -127.37 143.81 51.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.884 -0.598 . . . . 53.12 110.953 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 C--O 1.235 0.326 0 CA-C-N 115.881 -0.6 . . . . 72.15 110.889 179.925 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 111.236 0.088 . . . . 75.44 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.4 t -76.77 135.64 38.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.938 0.399 . . . . 74.54 111.436 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -65.75 -33.66 76.37 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.093 -0.958 . . . . 62.14 113.114 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 m -92.95 -49.66 5.93 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.254 0.347 . . . . 73.32 111.905 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.6 p -106.98 157.98 17.38 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.095 0.247 . . . . 65.02 110.736 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -91.71 52.29 2.01 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.548 0.689 . . . . 63.35 110.486 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -120.18 131.89 55.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.209 -0.905 . . . . 72.21 109.944 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.16 130.95 45.21 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.775 -0.648 . . . . 73.24 111.954 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 22' ' ' GLU . 17.2 mt -79.27 98.56 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.687 -0.688 . . . . 73.32 109.263 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.522 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.2 tmt_? -147.78 159.89 43.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.518 -0.765 . . . . 73.25 112.056 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.44 -75.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.985 1.314 . . . . 73.32 114.252 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.479 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.5 t80 -72.92 -58.83 3.04 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.513 0.325 . . . . 62.12 111.221 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.547 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 32.61 -87.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.872 1.269 . . . . 64.3 114.291 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 68.0 mtt 45.55 76.69 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.058 0.943 . . . . 73.45 112.061 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.2 p -141.95 161.59 37.59 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.211 -0.904 . . . . 74.24 111.855 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.77 168.44 10.32 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 73.33 110.459 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -87.89 119.49 28.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.753 0.311 . . . . 74.14 110.935 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.682 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -93.38 -179.25 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.728 -0.669 . . . . 61.35 109.783 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.682 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.8 mttt -49.63 -67.75 0.24 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.708 1.003 . . . . 71.52 113.708 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.48 -43.16 2.51 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 111.978 0.362 . . . . 64.13 111.978 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.8 mttt -112.37 151.38 29.85 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.235 0.334 . . . . 74.21 111.543 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.8 t -106.13 146.4 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.881 -0.6 . . . . 70.13 109.917 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -128.53 150.25 50.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.979 -0.555 . . . . 73.03 111.104 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.692 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 13.3 m80 -65.52 159.23 24.98 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.405 0.441 . . . . 71.24 110.349 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.12 -44.82 87.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.6 0.238 . . . . 74.42 110.607 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.49 -33.32 75.42 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.831 -0.622 . . . . 72.11 111.392 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 28.0 m -82.32 -0.86 47.65 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.787 -0.642 . . . . 50.41 111.943 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -91.0 64.07 5.3 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.48 0.657 . . . . 74.33 110.082 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -120.7 163.63 17.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.195 -0.911 . . . . 61.52 111.862 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 43.0 t -66.13 147.3 53.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.389 0.676 . . . . 74.45 111.954 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.9 -7.01 50.4 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.8 -0.636 . . . . 44.53 112.122 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.3 -50.26 3.19 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.169 0.433 . . . . 62.42 112.169 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.5 p -109.56 -4.47 16.22 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.004 0.372 . . . . 72.25 112.004 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.93 11.77 7.29 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.075 0.95 . . . . 74.42 113.111 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.7 tttt -65.83 163.4 16.89 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.617 0.367 . . . . 63.34 111.385 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -97.8 151.44 20.19 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.076 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.24 154.14 19.31 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.655 -0.702 . . . . 74.55 110.968 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -120.61 155.68 33.24 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.594 -0.73 . . . . 65.21 111.261 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.77 128.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 115.937 -0.574 . . . . 73.4 112.279 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.92 -16.12 36.59 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 123.548 0.53 . . . . 64.22 113.494 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.55 151.76 19.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.764 0.282 . . . . 71.24 111.316 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.04 136.94 32.74 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.845 -0.616 . . . . 74.23 111.043 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -129.92 158.59 39.12 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.505 0.503 . . . . 65.34 111.415 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.43 126.45 54.99 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.701 -0.681 . . . . 63.11 109.624 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -93.59 110.14 21.74 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.882 -0.599 . . . . 55.3 110.306 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -91.87 175.9 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.696 -0.684 . . . . 70.24 110.898 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.417 ' H ' HG13 ' A' ' 55' ' ' ILE . 16.8 m-80 -48.04 -36.32 12.71 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.713 1.005 . . . . 75.13 113.713 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.525 ' H ' HG23 ' A' ' 55' ' ' ILE . 50.5 m -105.5 -75.54 0.62 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.187 0.44 . . . . 70.43 112.187 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.625 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.43 -167.16 1.41 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.698 0.259 . . . . 75.52 111.698 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -92.68 143.67 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.693 0.397 . . . . 73.24 110.471 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.6 t -120.24 127.8 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.661 0.601 . . . . 72.23 109.852 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 p -65.19 157.32 29.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.938 -0.574 . . . . 72.41 112.293 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.643 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.6 -23.33 58.53 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.908 -0.587 . . . . 74.23 111.997 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -41.8 85.66 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.578 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -109.0 4.16 22.91 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.49 0.552 . . . . 42.3 112.49 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.56 -51.48 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 113.072 0.767 . . . . 73.54 113.072 -178.286 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.53 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.6 t80 -63.75 -51.68 63.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.998 0.519 . . . . 70.12 112.372 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.587 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.15 -39.48 93.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.716 0.636 . . . . 63.44 112.716 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.442 ' CD1' HG21 ' A' ' 60' ' ' VAL . 57.9 t-105 -65.4 -50.31 65.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.39 0.276 . . . . 73.13 111.348 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -64.13 -29.02 70.17 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.083 0.468 . . . . 70.34 110.949 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 52.7 tttt -65.09 -42.52 93.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.892 -1.049 . . . . 73.44 111.942 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.0 mm -84.51 -46.57 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 115.851 -0.613 . . . . 74.41 111.758 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -76.21 -29.97 57.81 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.724 0.638 . . . . 73.23 112.724 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.612 0 C-N-CA 121.373 -0.441 . . . . 72.21 112.558 179.885 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.508 0.194 . . . . 73.24 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -119.3 135.2 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 115.923 -0.58 . . . . 64.22 110.019 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.2 mmt -120.24 153.15 36.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.684 -0.689 . . . . 73.44 110.971 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 p -95.93 147.3 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.742 -0.663 . . . . 61.23 110.647 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.38 110.24 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 116.107 -0.497 . . . . 74.03 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 146.11 48.33 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.642 -0.708 . . . . 65.22 113.488 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.89 141.67 97.73 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-O 119.14 -0.457 . . . . 70.12 111.493 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.83 135.91 16.27 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.387 2.058 . . . . 72.51 112.697 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 95' ' ' GLY . 19.0 p -120.13 119.57 33.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.913 -0.585 . . . . 74.13 111.085 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -65.85 126.34 28.18 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.93 -0.577 . . . . 74.54 112.219 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 65.7 mtt 40.98 36.0 0.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.614 1.166 . . . . 54.23 113.558 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.462 ' O ' ' HB ' ' A' ' 92' ' ' THR . . . 97.79 -85.42 0.76 Allowed Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.021 -0.536 . . . . 64.12 112.584 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.06 -109.25 3.53 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.446 -0.407 . . . . 74.41 112.572 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HB3' ' OD1' ' A' ' 100' ' ' ASP . 44.7 mt-10 -102.0 138.85 38.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.313 0.245 . . . . 65.14 110.773 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.13 -43.09 1.33 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.972 -0.558 . . . . 72.24 111.334 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.7 63.5 0.67 Allowed Glycine 0 C--N 1.34 0.779 0 O-C-N 123.387 0.43 . . . . 61.51 112.588 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 7.5 m-20 -130.86 11.48 5.16 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.744 0.307 . . . . 72.42 111.495 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.11 -28.51 21.24 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.13 -0.486 . . . . 62.44 111.979 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.61 -15.87 44.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.124 0.416 . . . . 61.45 112.124 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.9 -36.98 18.09 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.292 0.37 . . . . 75.34 111.718 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.4 ptm180 -87.8 -0.79 57.41 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.093 0.405 . . . . 72.2 112.093 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -92.27 -40.15 11.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.473 -0.331 . . . . 75.13 111.236 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.433 ' H ' HG13 ' A' ' 106' ' ' ILE . 2.2 pp -96.64 135.09 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.35 -0.386 . . . . 42.53 111.43 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -139.43 148.76 43.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.88 -0.6 . . . . 74.35 111.14 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -101.79 133.2 46.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.9 -0.591 . . . . 72.22 110.86 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -129.0 148.02 50.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.854 -0.612 . . . . 63.32 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.78 145.45 28.5 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.856 -0.611 . . . . 74.13 110.861 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -110.47 -42.59 4.06 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.621 0.576 . . . . 73.5 111.279 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 p -99.29 137.5 37.7 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.364 0.415 . . . . 73.42 111.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -128.29 142.21 51.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.859 -0.61 . . . . 53.12 110.802 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.465 0.318 0 CA-C-N 115.861 -0.609 . . . . 72.15 111.358 -179.91 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 110.269 -0.271 . . . . 75.44 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 41.9 t -77.68 136.14 38.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.176 0.512 . . . . 74.54 112.064 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.07 -37.02 84.76 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.795 -1.093 . . . . 62.14 112.934 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 p -89.01 -52.18 5.21 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.316 0.385 . . . . 73.32 111.951 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.586 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.8 p -105.7 158.57 16.62 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.25 0.344 . . . . 65.02 110.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.7 49.52 1.68 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.396 0.617 . . . . 63.35 110.683 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -120.63 131.9 54.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.287 -0.87 . . . . 72.21 110.053 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -65.78 136.36 56.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.834 -0.621 . . . . 73.24 112.247 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.3 mt -72.42 142.36 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.686 -0.688 . . . . 73.32 109.87 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -128.37 -178.01 4.39 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.902 0.334 . . . . 73.25 111.902 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB2' ' HE2' ' A' ' 94' ' ' MET . . . -67.79 -26.29 66.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.183 0.593 . . . . 73.32 112.477 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -74.58 -30.94 61.9 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.416 0.447 . . . . 62.12 110.712 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.725 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.5 mm-40 -72.59 -45.76 57.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.756 -0.656 . . . . 64.3 112.555 -177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.53 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 64.7 mtt 46.43 88.04 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.351 0.596 . . . . 73.45 110.659 -179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.5 p -104.34 157.43 17.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 74.24 111.876 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.555 ' SD ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -104.51 167.9 9.43 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.511 -0.768 . . . . 73.33 110.849 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -82.44 115.57 21.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.866 0.365 . . . . 74.14 111.195 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.0 t -99.51 -179.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 115.511 -0.768 . . . . 61.35 109.767 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.66 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.8 mttt -49.86 -66.45 0.39 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.616 0.969 . . . . 71.52 113.616 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.3 -46.19 2.41 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.922 0.342 . . . . 64.13 111.922 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 35.5 mtmt -118.02 153.3 33.92 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.378 0.424 . . . . 74.21 111.467 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.92 146.44 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.938 -0.573 . . . . 70.13 110.008 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -124.49 145.63 49.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.02 -0.536 . . . . 73.03 111.534 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.634 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 10.6 m80 -65.78 159.21 25.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.028 0.531 . . . . 71.24 110.911 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.5 pp -65.07 -47.65 76.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.45 0.167 . . . . 74.42 110.635 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.82 -28.96 69.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.995 -0.548 . . . . 72.11 111.686 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 15.5 m -89.12 -6.28 57.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.03 -0.532 . . . . 50.41 111.814 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -89.6 55.63 3.28 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.464 0.649 . . . . 74.33 110.248 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.97 161.89 20.83 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.277 -0.874 . . . . 61.52 111.701 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 32.5 t -66.12 147.03 53.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.712 -0.677 . . . . 74.45 111.815 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.77 -6.87 35.2 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.049 -0.523 . . . . 44.53 111.933 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.12 -47.68 4.66 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 111.89 0.33 . . . . 62.42 111.89 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.4 p -113.28 -3.33 13.85 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.867 0.321 . . . . 72.25 111.867 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.548 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 65.18 12.43 8.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.101 0.961 . . . . 74.42 113.102 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.609 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.5 tttm -65.96 163.08 17.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.633 0.373 . . . . 63.34 111.409 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -102.05 152.96 20.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -105.95 141.55 37.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.718 -0.674 . . . . 74.55 111.191 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 p -120.65 161.42 21.41 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.344 -0.844 . . . . 65.21 111.115 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.61 136.04 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 112.295 0.48 . . . . 73.4 112.295 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -27.05 15.43 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.908 -0.587 . . . . 64.22 113.326 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.89 149.54 21.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.627 0.251 . . . . 71.24 111.283 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -83.04 138.7 33.63 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.78 -0.645 . . . . 74.23 111.282 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -128.94 154.06 46.93 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.545 0.528 . . . . 65.34 111.42 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 128.68 56.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.709 -0.678 . . . . 63.11 109.7 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.73 112.25 24.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.894 -0.594 . . . . 55.3 110.459 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -90.99 176.18 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.704 -0.68 . . . . 70.24 110.81 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -47.91 -34.16 8.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.953 1.094 . . . . 75.13 113.953 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.476 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.5 t -120.01 -58.76 1.85 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.826 0.676 . . . . 70.43 112.826 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.21 -163.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.197 0.443 . . . . 75.52 112.197 -178.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -106.73 140.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 122.813 0.445 . . . . 73.24 110.144 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.542 HG21 ' CD1' ' A' ' 68' ' ' TRP . 12.0 t -120.6 127.41 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.901 -0.591 . . . . 72.23 110.181 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 p -65.26 159.3 24.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.883 -0.598 . . . . 72.41 112.162 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.3 mt-10 -62.09 -21.21 64.79 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.011 -0.54 . . . . 74.23 111.8 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -67.16 -40.96 86.74 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.282 -0.417 . . . . 75.13 111.599 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -110.38 6.18 22.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.709 0.633 . . . . 42.3 112.709 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.54 -54.35 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.254 0.835 . . . . 73.54 113.254 -178.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.558 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 52.7 t80 -58.57 -53.74 54.98 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.683 0.623 . . . . 70.12 112.683 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.591 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.2 mt-10 -65.07 -39.79 93.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.927 0.714 . . . . 63.44 112.927 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.542 ' CD1' HG21 ' A' ' 60' ' ' VAL . 55.4 t-105 -65.55 -54.52 26.79 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.63 0.372 . . . . 73.13 111.784 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.5 p -61.52 -29.57 70.08 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.091 0.472 . . . . 70.34 111.529 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 34.4 tttp -65.52 -38.7 90.44 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.186 -0.915 . . . . 73.44 112.633 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 67' ' ' GLU . 15.0 mm -84.51 -47.66 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.05 0.759 . . . . 74.41 113.05 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -94.85 -29.99 14.43 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.325 0.861 . . . . 73.23 113.325 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.662 0 C-N-CA 121.065 -0.588 . . . . 72.21 112.84 -179.659 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.513 0.197 . . . . 73.24 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.05 131.98 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.981 -0.554 . . . . 64.22 110.13 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -120.2 157.51 28.92 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.654 -0.703 . . . . 73.44 111.184 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.14 152.1 3.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.83 -0.623 . . . . 61.23 110.386 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.19 110.06 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 120.955 0.407 . . . . 74.03 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 25' ' ' MET . . . -66.39 154.19 51.94 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.406 -0.815 . . . . 65.22 113.916 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 12.8 tt0 -66.3 138.79 96.04 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 118.947 -0.549 . . . . 70.12 110.914 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.53 ' HB3' ' O ' ' A' ' 23' ' ' MET . 3.8 Cg_exo -77.19 149.29 28.07 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.257 1.971 . . . . 72.51 112.809 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 t -120.36 128.25 53.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.359 0.599 . . . . 74.13 111.508 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.1 109.84 2.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.424 -1.262 . . . . 74.54 111.587 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.506 ' HE2' ' HB2' ' A' ' 20' ' ' ALA . 16.2 mmt 40.79 105.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.668 1.187 . . . . 54.23 113.848 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.06 -162.64 13.08 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.593 -0.731 . . . . 64.12 112.791 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.73 -129.78 6.8 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 121.49 -0.386 . . . . 74.41 112.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG2' ' OE2' ' A' ' 101' ' ' GLU . 41.2 mt-10 -97.92 140.15 32.7 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 122.283 0.233 . . . . 65.14 111.058 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -98.42 -41.75 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.869 -0.605 . . . . 72.24 111.16 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.2 -121.25 4.27 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 123.491 0.494 . . . . 61.51 112.468 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.495 ' OD1' ' HB2' ' A' ' 103' ' ' GLU . 3.1 t70 -147.55 97.06 2.78 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.247 0.546 . . . . 72.42 110.074 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.4 mp0 -82.75 -18.94 38.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.287 -0.869 . . . . 62.44 112.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.46 -19.62 33.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.099 0.407 . . . . 61.45 112.099 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.495 ' HB2' ' OD1' ' A' ' 100' ' ' ASP . 2.9 tp10 -87.23 -39.61 15.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.5 -0.318 . . . . 75.34 111.44 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 37.6 ptt180 -87.36 8.1 25.96 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.441 0.463 . . . . 72.2 112.141 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 4.8 tp -92.66 -42.47 9.61 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.32 -0.4 . . . . 75.13 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.87 173.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 125.001 1.32 . . . . 42.53 114.057 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.7 p -111.96 147.86 34.99 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.934 -0.576 . . . . 74.35 111.107 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -104.92 148.63 26.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.908 -0.587 . . . . 72.22 110.671 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.08 146.57 26.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.843 -0.617 . . . . 63.32 110.94 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 149.86 33.14 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.876 -0.602 . . . . 74.13 110.929 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -99.21 144.92 27.78 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.863 -0.608 . . . . 73.5 110.823 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -111.66 147.01 36.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.863 -0.608 . . . . 73.42 111.1 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.79 144.84 44.98 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 53.12 110.517 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 . . . . . 0 C--O 1.234 0.286 0 CA-C-N 115.951 -0.568 . . . . 72.15 110.991 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.553 0.216 . . . . 75.44 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.2 t -84.95 144.63 28.21 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.002 -0.545 . . . . 74.54 111.029 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -37.37 86.13 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.433 0.901 . . . . 62.14 113.433 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -95.67 -53.75 3.61 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.032 0.382 . . . . 73.32 112.032 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 5.2 p -101.06 162.86 12.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.57 0.224 . . . . 65.02 111.205 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.13 49.03 1.37 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.356 0.598 . . . . 63.35 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.619 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 57.3 mttm -113.25 133.63 55.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.486 -0.779 . . . . 72.21 111.11 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -65.64 136.64 56.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.948 -0.569 . . . . 73.24 111.064 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.619 HG23 ' HB3' ' A' ' 22' ' ' GLU . 64.5 mt -84.92 115.62 27.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.101 -0.5 . . . . 73.32 110.726 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.44 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 15.5 ttm180 -100.89 -174.48 2.63 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.227 -0.897 . . . . 73.25 110.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.44 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . -69.86 -5.87 28.71 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.949 0.722 . . . . 73.32 112.949 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -87.76 -13.87 41.2 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.996 0.518 . . . . 62.12 111.387 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.619 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -43.65 -48.72 7.79 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.446 1.276 . . . . 64.3 114.446 -178.22 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.598 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 65.2 mtt 42.45 47.16 4.29 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.878 0.846 . . . . 73.45 110.663 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' GLU . 41.0 p -104.72 169.75 8.27 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.603 -1.18 . . . . 74.24 112.237 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -111.48 150.86 29.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.346 -0.843 . . . . 73.33 109.689 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 115.26 14.65 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.339 -0.391 . . . . 74.14 111.408 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.706 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.4 t -88.76 -179.16 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 115.59 -0.732 . . . . 61.35 109.916 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.706 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.7 mttt -48.07 -67.06 0.31 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.789 1.033 . . . . 71.52 113.789 -178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.37 -42.69 2.54 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.355 0.502 . . . . 64.13 112.355 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.7 mttt -109.99 150.89 27.85 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.24 0.337 . . . . 74.21 111.55 -178.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 t -104.84 137.6 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.768 -0.651 . . . . 70.13 109.632 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -118.89 151.79 37.47 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.939 -0.573 . . . . 73.03 111.323 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m80 -65.37 163.76 15.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.089 0.555 . . . . 71.24 110.964 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.2 pp -65.26 -47.44 76.7 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 110.089 -0.337 . . . . 74.42 110.089 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.67 -33.95 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.509 -0.769 . . . . 72.11 111.641 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 34.4 m -80.21 -0.4 36.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.744 -0.662 . . . . 50.41 112.252 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -92.25 55.58 2.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.613 0.721 . . . . 74.33 109.394 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -120.76 165.69 14.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.191 -0.913 . . . . 61.52 112.062 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.1 t -66.12 147.32 53.51 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.481 0.712 . . . . 74.45 112.069 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.77 -8.62 43.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.825 -0.625 . . . . 44.53 112.212 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.13 -50.66 3.31 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 62.42 112.11 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.2 p -107.43 -4.76 18.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.938 0.348 . . . . 72.25 111.938 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.6 mp0 64.61 12.07 7.21 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.012 0.925 . . . . 74.42 113.1 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.9 tttt -65.87 162.44 19.0 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.604 0.362 . . . . 63.34 111.236 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -99.83 148.71 24.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.109 -0.496 . . . . 71.44 111.186 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -99.89 152.97 19.54 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.558 -0.746 . . . . 74.55 110.739 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -120.43 156.67 30.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.705 -0.679 . . . . 65.21 111.352 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.62 122.57 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 115.924 -0.58 . . . . 73.4 112.08 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.93 6.49 32.29 Favored Glycine 0 C--N 1.337 0.59 0 O-C-N 123.603 0.564 . . . . 64.22 113.43 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.9 153.22 28.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.76 0.28 . . . . 71.24 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -85.31 128.73 34.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.841 -0.618 . . . . 74.23 111.208 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -126.33 155.64 41.7 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.458 0.474 . . . . 65.34 111.419 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.39 128.73 56.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.693 -0.685 . . . . 63.11 109.899 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.83 106.91 18.86 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.965 -0.561 . . . . 55.3 110.213 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.31 175.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.648 -0.705 . . . . 70.24 110.94 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' H ' HG13 ' A' ' 55' ' ' ILE . 16.5 m-80 -48.0 -35.79 11.57 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.819 1.044 . . . . 75.13 113.819 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.517 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.7 p -108.44 -72.94 0.7 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.39 0.515 . . . . 70.43 112.39 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.0 m-20 -120.42 -164.68 1.12 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 111.638 0.236 . . . . 75.52 111.638 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -94.24 140.35 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 122.73 0.412 . . . . 73.24 110.398 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.6 t -120.49 127.17 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.88 -0.6 . . . . 72.23 109.961 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.21 158.75 25.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.14 0.576 . . . . 72.41 112.27 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.662 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.8 tt0 -61.92 -21.55 64.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.9 -0.591 . . . . 74.23 111.654 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.02 -40.55 87.28 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.619 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.32 5.86 21.96 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.654 0.613 . . . . 42.3 112.654 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -56.37 -54.37 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.034 0.753 . . . . 73.54 113.034 -178.541 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.64 -52.31 66.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.078 0.551 . . . . 70.12 112.476 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -64.81 -44.21 90.61 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.607 0.595 . . . . 63.44 112.607 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.48 ' HE1' HG12 ' A' ' 55' ' ' ILE . 49.6 t-105 -65.18 -42.64 93.43 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.14 0.422 . . . . 73.13 112.14 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.0 p -67.07 -29.04 68.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.978 0.418 . . . . 70.34 111.228 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -58.56 -46.04 87.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.139 -0.937 . . . . 73.44 111.603 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.2 mp -85.07 -47.33 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.492 0.495 . . . . 74.41 111.182 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -77.77 5.28 9.78 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.703 -0.681 . . . . 73.23 112.821 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.749 0 C-N-CA 121.437 -0.411 . . . . 72.21 112.398 179.814 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.481 0.181 . . . . 73.24 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.3 p -100.16 130.13 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.923 -0.58 . . . . 64.22 110.81 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.4 mtt -120.4 157.63 28.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.612 -0.722 . . . . 73.44 111.035 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.55 142.61 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.981 -0.554 . . . . 61.23 110.287 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.69 109.14 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.332 0.395 . . . . 74.03 110.953 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.56 164.74 45.02 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.601 -0.727 . . . . 65.22 113.426 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.3 157.85 80.04 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 119.118 -0.468 . . . . 70.12 111.799 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.598 ' HB3' ' O ' ' A' ' 23' ' ' MET . 5.3 Cg_exo -79.62 135.37 11.57 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.459 2.106 . . . . 72.51 112.569 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -120.32 111.41 17.74 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.519 0.512 . . . . 74.13 111.446 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.08 126.45 28.66 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.743 -0.662 . . . . 74.54 111.618 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 mmt 40.91 -82.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.752 1.221 . . . . 54.23 113.687 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.54 87.53 0.13 Allowed Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.586 -0.34 . . . . 64.12 112.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.81 139.64 8.36 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.48 -0.39 . . . . 74.41 112.472 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.9 115.75 31.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.877 0.37 . . . . 65.14 110.952 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.544 ' HB3' ' OE1' ' A' ' 101' ' ' GLU . 95.4 m-85 -131.09 86.13 2.34 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.576 -0.738 . . . . 72.24 110.305 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.01 48.46 0.94 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.196 -0.911 . . . . 61.51 112.884 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.68 4.14 3.88 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.919 0.39 . . . . 72.42 111.509 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.544 ' OE1' ' HB3' ' A' ' 98' ' ' PHE . 1.7 mp0 -88.3 -29.22 20.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.743 -0.662 . . . . 62.44 111.866 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.5 -13.98 50.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.361 0.504 . . . . 61.45 112.361 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -82.65 -36.8 25.7 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.556 0.342 . . . . 75.34 111.909 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -93.52 -9.75 37.26 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.317 0.385 . . . . 72.2 111.968 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.455 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.2 tt -93.93 -15.27 25.12 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.185 0.303 . . . . 75.13 111.713 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.411 ' H ' HG13 ' A' ' 106' ' ' ILE . 1.6 pp -85.45 113.64 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 111.882 0.327 . . . . 42.53 111.882 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -144.82 151.67 39.13 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.631 -0.713 . . . . 74.35 110.838 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -109.19 114.66 28.57 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.087 -0.506 . . . . 72.22 110.764 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.17 149.61 48.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.689 -0.687 . . . . 63.32 110.798 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.56 125.49 51.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.939 -0.573 . . . . 74.13 110.686 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.52 128.97 40.42 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.895 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -120.15 146.49 45.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.824 -0.625 . . . . 73.42 111.038 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -126.13 124.41 40.48 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.618 0.574 . . . . 53.12 110.86 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.466 0.335 0 CA-C-N 115.837 -0.619 . . . . 72.15 110.639 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.811 0.3 . . . . 75.44 111.811 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.597 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.0 t -63.19 133.7 54.74 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.793 0.664 . . . . 74.54 112.793 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.12 -33.53 75.98 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.747 -1.115 . . . . 62.14 112.6 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -90.37 -53.31 4.5 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.391 0.432 . . . . 73.32 111.618 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.1 p -102.66 153.7 19.86 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 123.155 0.285 . . . . 65.02 110.54 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -91.27 55.79 2.93 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.339 0.59 . . . . 63.35 110.953 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -120.81 136.99 54.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 72.21 110.308 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.49 122.89 18.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.044 -0.525 . . . . 73.24 111.609 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.548 HG12 ' NE2' ' A' ' 33' ' ' HIS . 65.0 mt -79.28 120.36 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 116.088 -0.505 . . . . 73.32 109.934 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -121.38 -174.26 2.81 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.576 -0.738 . . . . 73.25 111.168 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.44 -8.09 0.31 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.765 1.024 . . . . 73.32 113.765 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.435 ' HE2' ' OE1' ' A' ' 103' ' ' GLU . 58.0 t80 -75.66 -10.34 59.36 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.27 0.628 . . . . 62.12 111.35 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.39 156.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.91 0.862 . . . . 64.3 111.717 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.9 mtt -155.91 57.11 0.6 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.191 -1.822 . . . . 73.45 107.332 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.408 HG21 ' HA ' ' A' ' 33' ' ' HIS . 48.8 p -113.02 171.56 7.47 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.023 -1.444 . . . . 74.24 112.106 -176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.36 164.8 11.73 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.551 -0.749 . . . . 73.33 110.164 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -87.69 120.82 29.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.85 0.357 . . . . 74.14 111.331 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -93.31 -178.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.343 -0.844 . . . . 61.35 109.677 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.697 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -47.09 -66.91 0.33 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.83 1.048 . . . . 71.52 113.83 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.5 -44.95 2.44 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.26 0.467 . . . . 64.13 112.26 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -108.4 153.06 23.83 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 74.21 111.79 -178.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 149.69 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.684 -0.689 . . . . 70.13 109.75 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -129.51 148.44 51.41 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.04 -0.527 . . . . 73.03 111.078 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.661 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 12.2 m80 -65.56 160.46 22.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.876 0.47 . . . . 71.24 111.33 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.561 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -65.58 -46.75 78.2 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.221 0.326 . . . . 74.42 110.297 178.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.53 -32.14 73.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.529 -0.759 . . . . 72.11 111.558 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -84.91 -1.02 56.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 50.41 112.052 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -90.74 60.16 4.4 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.521 0.676 . . . . 74.33 110.304 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -120.46 163.24 18.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.234 -0.894 . . . . 61.52 111.637 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 27.4 t -66.13 147.5 53.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.044 -0.526 . . . . 74.45 112.056 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.6 -6.7 56.02 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 44.53 111.102 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.08 -41.14 3.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.787 -0.642 . . . . 62.42 111.64 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.4 m -105.43 -20.12 13.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.397 -0.365 . . . . 72.25 111.951 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.544 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.6 mp0 69.72 1.29 3.34 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.072 0.949 . . . . 74.42 111.974 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -66.36 164.95 15.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.304 0.642 . . . . 63.34 111.395 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -93.29 151.85 19.54 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.37 0.419 . . . . 71.44 111.039 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -98.33 151.11 20.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.663 -0.698 . . . . 74.55 111.112 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 t -120.54 156.25 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.397 -0.82 . . . . 65.21 110.961 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.73 136.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.965 -0.561 . . . . 73.4 111.639 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.91 -27.62 14.18 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.967 -0.56 . . . . 64.22 113.291 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.21 149.88 21.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.381 0.272 . . . . 71.24 111.289 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -85.02 141.21 30.46 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.941 -0.572 . . . . 74.23 111.226 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -128.5 156.16 43.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.046 -0.524 . . . . 65.34 111.421 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tp -113.87 131.02 56.42 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.705 -0.68 . . . . 63.11 109.7 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -94.92 107.0 19.02 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.936 -0.575 . . . . 55.3 110.182 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.81 175.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-N 115.734 -0.666 . . . . 70.24 110.962 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -48.03 -34.74 9.89 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.924 1.083 . . . . 75.13 113.924 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.3 m -120.18 -56.76 1.98 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.955 0.724 . . . . 70.43 112.955 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.27 -164.93 1.13 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.1 0.407 . . . . 75.52 112.1 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 2.5 mp -109.02 142.93 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 122.905 0.482 . . . . 73.24 109.864 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.545 HG21 ' CD1' ' A' ' 68' ' ' TRP . 3.7 t -120.13 127.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.538 0.524 . . . . 72.23 110.099 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.46 158.93 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.984 -0.553 . . . . 72.41 112.201 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.553 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -58.73 -18.1 28.64 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.268 0.84 . . . . 74.23 113.268 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -65.66 -51.8 56.61 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.239 0.459 . . . . 75.13 112.239 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.73 15.12 22.12 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.089 0.403 . . . . 42.3 112.089 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.5 -47.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.055 0.542 . . . . 73.54 112.412 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.13 -50.93 64.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 122.959 0.504 . . . . 70.12 111.907 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 71' ' ' ILE . 8.8 mm-40 -65.04 -43.44 92.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.545 ' CD1' HG21 ' A' ' 60' ' ' VAL . 48.0 t-105 -63.63 -42.41 98.16 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.667 0.387 . . . . 73.13 111.846 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -67.16 -29.2 68.83 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.886 0.474 . . . . 70.34 111.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -59.04 -45.79 89.86 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.175 -0.92 . . . . 73.44 111.737 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.3 mp -85.04 -47.33 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.046 -0.524 . . . . 74.41 111.214 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -78.22 5.19 10.81 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.857 0.688 . . . . 73.23 112.857 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.658 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.616 179.896 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.236 0.388 0 CA-C-O 120.56 0.219 . . . . 73.24 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.51 143.4 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 115.929 -0.578 . . . . 64.22 109.95 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.05 149.18 42.6 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.662 0.601 . . . . 73.44 111.103 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.39 152.12 3.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.72 -0.673 . . . . 61.23 110.696 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.33 110.42 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.24 -0.436 . . . . 74.03 110.461 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 153.53 51.65 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 115.621 -0.718 . . . . 65.22 113.864 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.93 113.26 11.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 122.92 0.488 . . . . 70.12 111.557 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.03 157.85 46.76 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.511 2.141 . . . . 72.51 113.035 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.4 p -107.4 115.04 29.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.988 -0.551 . . . . 74.13 111.062 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.94 150.63 48.32 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.755 -0.657 . . . . 74.54 111.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -65.86 -44.16 86.23 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.941 -0.572 . . . . 54.23 111.797 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.0 100.42 2.11 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.421 0.451 . . . . 64.12 112.61 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.68 -80.78 0.17 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.389 -0.434 . . . . 74.41 112.597 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.33 147.7 25.5 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.327 0.251 . . . . 65.14 110.96 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -99.93 -43.23 6.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.883 -0.599 . . . . 72.24 111.188 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.82 -174.09 29.29 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.459 0.475 . . . . 61.51 112.652 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.36 86.64 2.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.317 0.579 . . . . 72.42 110.689 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.27 -30.89 19.32 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.327 -0.852 . . . . 62.44 112.071 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.45 -16.54 42.2 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.383 0.512 . . . . 61.45 112.383 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' OE1' ' HE2' ' A' ' 21' ' ' TYR . 3.0 tp10 -84.84 -2.84 58.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.22 0.325 . . . . 75.34 111.768 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -88.42 -15.11 36.31 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.457 -0.338 . . . . 72.2 111.739 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.493 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.6 tt -93.93 -32.82 13.73 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 123.302 0.376 . . . . 75.13 111.052 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.9 pp 44.62 107.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 124.935 1.294 . . . . 42.53 113.991 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -109.29 153.29 24.08 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.556 -0.747 . . . . 74.35 110.938 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.38 -48.09 5.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.498 0.499 . . . . 72.22 111.546 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp 63.33 148.75 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.958 0.903 . . . . 63.32 112.154 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.28 113.53 26.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.835 -0.621 . . . . 74.13 110.78 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 150.99 48.1 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.788 -0.642 . . . . 73.5 110.644 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -101.47 137.76 39.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.817 -0.628 . . . . 73.42 110.952 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -128.91 132.97 47.73 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.972 -0.558 . . . . 53.12 110.993 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.465 0.317 0 CA-C-N 115.765 -0.652 . . . . 72.15 110.795 179.845 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 111.929 0.344 . . . . 75.44 111.929 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 35.5 t -78.23 116.43 18.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.004 -0.544 . . . . 74.54 111.961 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.24 63.91 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.055 1.131 . . . . 62.14 114.055 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.2 p -94.41 -53.9 3.74 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.929 0.715 . . . . 73.32 112.929 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 p -95.9 -1.88 48.4 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.366 0.506 . . . . 65.02 112.366 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.78 35.38 26.15 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.644 0.778 . . . . 63.35 112.021 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -117.44 152.27 35.37 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.913 -0.585 . . . . 72.21 110.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -65.3 130.77 44.54 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.706 -0.679 . . . . 73.24 112.278 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.505 ' HA ' ' NE2' ' A' ' 33' ' ' HIS . 16.8 mt -80.11 126.59 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.486 -0.779 . . . . 73.32 110.151 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -110.49 -177.39 3.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.79 -0.641 . . . . 73.25 111.868 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.55 66.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.701 0.63 . . . . 73.32 112.701 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.86 -32.22 73.61 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.893 0.477 . . . . 62.12 111.435 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.595 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.9 mm-40 -70.72 -18.59 62.79 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.297 0.851 . . . . 64.3 113.297 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.7 mtm 36.62 97.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.743 0.817 . . . . 73.45 111.853 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 32' ' ' TYR . 17.7 p -103.69 150.11 24.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 74.24 112.271 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -100.58 158.92 15.57 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.689 -1.142 . . . . 73.33 110.141 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.74 108.44 16.79 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.044 0.449 . . . . 74.14 110.201 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.9 t -100.27 171.34 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.343 -0.844 . . . . 61.35 109.692 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' H ' HG12 ' A' ' 27' ' ' VAL . 89.3 mttt -53.85 -62.72 1.47 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.588 0.958 . . . . 71.52 113.588 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.48 -42.77 2.53 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.941 0.719 . . . . 64.13 112.941 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 69.9 mttt -115.41 139.14 50.28 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.41 0.522 . . . . 74.21 112.41 -177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 t -100.85 147.15 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.833 -0.803 . . . . 70.13 108.833 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' ' 24' ' ' THR . 30.7 m-85 -134.32 151.49 51.27 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.478 0.548 . . . . 73.03 112.478 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.713 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 29.0 m80 -65.69 162.56 18.26 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.485 -0.779 . . . . 71.24 111.286 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 22' ' ' GLU . 4.1 pp -65.91 -47.46 74.67 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 117.65 0.204 . . . . 74.42 110.776 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' HD12 ' A' ' 34' ' ' LEU . 43.6 mt-10 -65.52 -23.33 66.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.097 -0.501 . . . . 72.11 111.645 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.713 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.1 m -91.3 -5.2 55.01 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.974 -0.557 . . . . 50.41 111.399 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -105.42 55.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.406 0.622 . . . . 74.33 110.072 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -120.82 159.18 25.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.41 -0.814 . . . . 61.52 111.733 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 48.6 t -66.13 147.26 53.61 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.871 -0.604 . . . . 74.45 112.037 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.02 -7.64 42.15 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.812 -0.631 . . . . 44.53 112.119 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.5 -50.63 3.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.092 0.404 . . . . 62.42 112.092 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.8 p -109.35 -4.25 16.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.92 10.39 6.15 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.133 0.973 . . . . 74.42 113.097 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.7 tttt -65.9 162.47 19.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.685 0.394 . . . . 63.34 111.392 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.82 152.89 18.25 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.998 -0.546 . . . . 71.44 110.954 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -100.56 145.45 28.32 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 74.55 111.196 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.8 m -120.79 162.3 20.01 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.09 -0.959 . . . . 65.21 111.384 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.74 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.096 0.559 . . . . 73.4 112.355 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.02 -31.92 8.08 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.989 -0.55 . . . . 64.22 113.407 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.68 150.36 20.73 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.661 0.267 . . . . 71.24 111.349 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.55 144.42 26.34 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.76 -0.654 . . . . 74.23 111.058 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.13 154.71 41.03 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.505 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -111.73 130.0 55.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.625 -0.716 . . . . 63.11 109.777 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -95.01 111.5 23.3 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.96 -0.563 . . . . 55.3 110.36 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.88 176.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.767 -0.651 . . . . 70.24 110.804 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -47.78 -34.62 8.76 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.851 1.056 . . . . 75.13 113.851 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 55' ' ' ILE . 55.9 p -120.12 -56.9 1.98 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.851 0.685 . . . . 70.43 112.851 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.608 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.8 m-20 -120.3 -163.5 1.01 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.102 0.408 . . . . 75.52 112.102 -178.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -110.27 143.27 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 122.823 0.449 . . . . 73.24 109.941 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 7.8 t -120.35 130.13 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.103 -0.499 . . . . 72.23 110.162 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.0 p -65.47 158.02 27.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.98 -0.554 . . . . 72.41 112.338 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.2 mt-10 -60.04 -22.74 63.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.058 0.543 . . . . 74.23 111.802 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.08 -40.37 86.96 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.166 -0.47 . . . . 75.13 111.559 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -110.04 4.83 21.67 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.643 0.609 . . . . 42.3 112.643 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.54 -54.0 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 113.191 0.811 . . . . 73.54 113.191 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.8 t80 -59.77 -53.06 62.36 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.607 0.595 . . . . 70.12 112.607 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.593 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.3 mt-10 -65.23 -40.62 94.3 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.758 0.651 . . . . 63.44 112.758 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.0 t-105 -65.45 -50.56 64.93 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.448 0.299 . . . . 73.13 111.615 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.7 p -63.56 -29.15 70.45 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.112 0.482 . . . . 70.34 111.072 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.4 tttt -65.12 -43.05 93.22 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.991 -1.004 . . . . 73.44 111.776 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.0 mm -84.74 -47.06 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.822 -0.627 . . . . 74.41 111.879 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -77.31 -30.01 53.93 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.768 0.655 . . . . 73.23 112.768 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.577 0 C-N-CA 121.325 -0.464 . . . . 72.21 112.758 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.235 0.323 0 N-CA-C 110.515 -0.18 . . . . 73.24 110.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.37 148.6 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.887 -0.597 . . . . 64.22 110.022 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.09 143.08 48.33 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.677 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.6 t -99.69 136.86 29.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 123.49 0.494 . . . . 61.23 110.432 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.65 109.93 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 116.321 -0.4 . . . . 74.03 111.024 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.59 162.57 44.56 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 115.736 -0.665 . . . . 65.22 113.789 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.0 129.8 93.97 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.955 0.502 . . . . 70.12 112.063 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.47 141.55 31.72 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.354 2.036 . . . . 72.51 112.621 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 p -120.44 111.66 17.99 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.381 0.426 . . . . 74.13 111.447 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.08 116.51 7.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.959 -0.564 . . . . 74.54 111.793 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -66.21 -45.34 81.07 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.644 -0.707 . . . . 54.23 112.014 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.64 -95.47 0.16 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 116.135 -0.484 . . . . 64.12 112.381 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.89 105.94 0.86 Allowed Glycine 0 C--N 1.337 0.639 0 C-N-CA 121.376 -0.44 . . . . 74.41 112.597 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -133.59 154.38 50.92 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.412 0.285 . . . . 65.14 111.053 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.57 3.13 56.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.939 -0.573 . . . . 72.24 111.799 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.46 110.21 3.69 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 121.53 -0.366 . . . . 61.51 112.91 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -129.51 14.44 6.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.789 0.328 . . . . 72.42 111.394 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -87.87 -18.97 28.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.196 -0.456 . . . . 62.44 111.982 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.55 -18.85 34.36 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.168 0.432 . . . . 61.45 112.168 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.15 -23.87 26.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.059 0.392 . . . . 75.34 112.059 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -93.36 -14.34 26.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.32 -0.4 . . . . 72.2 111.625 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.18 -9.98 37.41 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.289 0.368 . . . . 75.13 111.755 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 mt 65.92 121.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.661 0.784 . . . . 42.53 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 p -139.94 -25.69 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.837 -0.619 . . . . 74.35 111.69 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 64.67 127.01 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.986 0.914 . . . . 72.22 111.902 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.24 -13.88 3.89 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.741 -0.663 . . . . 63.32 111.794 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -74.7 125.93 29.77 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.138 -1.392 . . . . 74.13 111.789 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -130.15 159.65 36.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.549 -0.75 . . . . 73.5 110.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.6 p -90.05 118.62 29.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.067 -0.515 . . . . 73.42 111.339 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -131.18 150.37 52.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.714 -0.675 . . . . 53.12 110.86 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 N--CA 1.465 0.3 0 CA-C-N 115.847 -0.615 . . . . 72.15 110.787 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.47 ' HA ' ' H ' ' A' ' 18' ' ' ILE . 4.0 pp . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 111.676 0.25 . . . . 75.44 111.676 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 18.7 t -57.53 136.83 56.76 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.141 0.793 . . . . 74.54 113.141 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.2 -30.15 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.758 -1.11 . . . . 62.14 111.537 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.1 t -93.45 -46.44 7.32 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.736 -0.666 . . . . 73.32 110.616 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.3 m -98.66 133.73 42.58 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 123.364 0.415 . . . . 65.02 110.236 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.13 50.74 1.8 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.508 0.671 . . . . 63.35 109.384 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -120.85 130.06 53.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.128 -0.942 . . . . 72.21 110.656 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HA ' ' HB3' ' A' ' 10' ' ' LEU . 32.7 ptt180 -58.36 107.44 0.49 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.691 0.619 . . . . 73.24 111.154 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 22' ' ' GLU . 10.0 mt -56.34 98.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-N 115.675 -0.693 . . . . 73.32 110.136 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 18.1 ttp180 -148.09 175.94 10.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.189 -0.914 . . . . 73.25 111.629 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . 56.1 -77.93 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.846 1.258 . . . . 73.32 113.915 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -80.06 -64.18 1.24 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 122.319 0.247 . . . . 62.12 111.056 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 33.55 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.703 1.201 . . . . 64.3 113.817 -179.593 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.558 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 19.7 mmt 42.35 45.16 3.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.319 1.048 . . . . 73.45 112.609 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -113.13 173.41 6.4 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.21 -0.905 . . . . 74.24 111.385 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -109.79 146.23 35.35 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.556 -0.747 . . . . 73.33 110.193 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -77.95 119.04 20.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.063 -0.517 . . . . 74.14 111.58 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -86.22 -178.92 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.437 -0.801 . . . . 61.35 109.862 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.634 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -47.78 -66.51 0.39 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.496 0.925 . . . . 71.52 113.496 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.74 -38.75 2.81 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.107 0.41 . . . . 64.13 112.107 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 79.5 mttt -102.31 152.72 20.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.013 0.375 . . . . 74.21 112.013 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 p -118.58 141.99 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.796 -0.638 . . . . 70.13 109.765 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 42.4 m-85 -135.26 152.58 51.66 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.25 0.343 . . . . 73.03 111.603 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.86 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 23.9 m80 -65.47 168.16 7.71 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.111 -0.495 . . . . 71.24 110.34 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.69 -49.81 73.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.714 0.292 . . . . 74.42 110.608 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.79 -23.23 66.04 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.588 -0.733 . . . . 72.11 111.683 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.86 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 35.1 m -86.36 -1.57 57.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.643 -0.708 . . . . 50.41 112.088 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -95.54 54.82 1.62 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.554 0.692 . . . . 74.33 109.611 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.6 ' NZ ' HE22 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -121.72 159.86 25.72 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.213 -0.903 . . . . 61.52 112.216 -179.147 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 7.6 t -66.38 147.21 53.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.671 -0.695 . . . . 74.45 111.563 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.97 -9.16 28.83 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.17 -0.468 . . . . 44.53 111.994 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.32 -50.52 4.09 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.785 0.291 . . . . 62.42 111.785 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.5 p -106.39 -5.79 18.74 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.647 0.24 . . . . 72.25 111.647 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.6 HE22 ' NZ ' ' A' ' 38' ' ' LYS . 21.8 mm-40 65.86 8.96 5.69 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.315 1.046 . . . . 74.42 113.055 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.2 tttt -66.08 161.67 21.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.647 0.379 . . . . 63.34 111.428 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -102.87 147.13 27.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.998 -0.547 . . . . 71.44 110.772 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -99.81 143.81 29.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.755 -0.657 . . . . 74.55 110.811 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 p -120.57 162.16 20.1 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 65.21 111.026 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.53 130.76 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 116.142 -0.481 . . . . 73.4 111.928 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.11 -14.87 36.88 Favored Glycine 0 C--N 1.337 0.596 0 O-C-N 123.636 0.585 . . . . 64.22 113.092 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.57 149.8 23.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.642 0.258 . . . . 71.24 110.842 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -86.63 136.88 32.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.906 -0.588 . . . . 74.23 111.236 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -128.72 155.82 44.47 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.03 -0.532 . . . . 65.34 111.405 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -119.99 121.2 38.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.51 -0.768 . . . . 63.11 109.381 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -86.29 115.31 23.75 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.912 -0.586 . . . . 55.3 111.015 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.47 176.37 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.404 -0.817 . . . . 70.24 110.597 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.421 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.3 m-80 -47.82 -34.92 9.32 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.679 0.992 . . . . 75.13 113.679 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.527 ' H ' HG23 ' A' ' 55' ' ' ILE . 51.4 m -111.18 -67.72 0.98 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.578 0.584 . . . . 70.43 112.578 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.588 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.45 -165.09 1.15 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.992 0.367 . . . . 75.52 111.992 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -94.47 135.37 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 122.864 0.466 . . . . 73.24 110.417 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.79 122.69 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.005 -0.543 . . . . 72.23 110.342 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.13 160.86 20.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.054 0.541 . . . . 72.41 112.043 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 65' ' ' ILE . 42.8 mt-10 -64.12 -18.91 64.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.989 -0.551 . . . . 74.23 112.11 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -66.81 -44.76 80.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.336 -0.393 . . . . 75.13 111.829 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.9 13.19 22.2 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.352 0.501 . . . . 42.3 112.352 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -59.32 -54.02 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 112.771 0.656 . . . . 73.54 112.771 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.64 -52.35 66.06 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.152 0.581 . . . . 70.12 112.344 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.0 mt-10 -63.73 -41.0 98.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.665 0.617 . . . . 63.44 112.665 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.1 -50.82 64.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.564 0.346 . . . . 73.13 111.368 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.2 p -62.85 -29.08 70.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.964 0.506 . . . . 70.34 111.288 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 32.2 tttp -65.27 -38.53 90.57 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.113 -0.949 . . . . 73.44 112.801 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 67' ' ' GLU . 4.7 mt -84.15 -48.08 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 113.238 0.829 . . . . 74.41 113.238 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.07 -30.17 15.42 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.332 0.864 . . . . 73.23 113.332 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.47 0 C-N-CA 120.974 -0.631 . . . . 72.21 112.719 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.607 0.241 . . . . 73.24 110.742 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.27 139.48 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.803 -0.635 . . . . 64.22 109.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 89.7 mtp -119.95 150.21 40.88 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.934 -0.575 . . . . 73.44 111.232 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.69 146.01 6.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.805 -0.634 . . . . 61.23 110.399 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.44 109.44 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 123.336 0.398 . . . . 74.03 111.005 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.4 162.99 46.58 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 115.594 -0.73 . . . . 65.22 113.423 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.05 156.92 82.88 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.105 -0.474 . . . . 70.12 111.59 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.558 ' HB3' ' O ' ' A' ' 23' ' ' MET . 4.4 Cg_exo -77.64 139.37 17.94 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.42 2.08 . . . . 72.51 112.58 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.17 111.46 17.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.072 -0.513 . . . . 74.13 111.217 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.4 pp -66.15 129.75 40.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.728 -0.669 . . . . 74.54 112.062 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 66.5 mtt 40.86 102.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.689 1.196 . . . . 54.23 113.577 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.24 -149.0 18.91 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.597 -0.729 . . . . 64.12 112.537 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.57 -110.96 0.27 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 121.416 -0.421 . . . . 74.41 112.573 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -99.7 149.73 23.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.332 0.253 . . . . 65.14 110.998 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -99.75 -43.0 6.61 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.781 -0.645 . . . . 72.24 111.213 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.86 75.07 0.05 OUTLIER Glycine 0 C--N 1.341 0.837 0 C-N-CA 121.38 -0.438 . . . . 61.51 112.537 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -128.32 11.16 6.36 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.797 0.332 . . . . 72.42 111.388 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.03 -24.89 23.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.011 -0.541 . . . . 62.44 111.884 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.49 -22.38 30.25 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.102 0.408 . . . . 61.45 112.102 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -87.16 -37.15 17.58 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.25 0.344 . . . . 75.34 111.643 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.11 13.18 21.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.394 0.434 . . . . 72.2 111.697 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.7 tt -90.0 -43.45 10.53 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.405 -0.361 . . . . 75.13 111.237 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.407 ' H ' HG13 ' A' ' 106' ' ' ILE . 1.4 pp -99.67 109.13 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 123.321 0.388 . . . . 42.53 111.23 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.0 p -145.15 152.27 39.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.636 -0.711 . . . . 74.35 111.048 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -100.55 128.92 46.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.862 -0.608 . . . . 72.22 110.708 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.54 150.64 40.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.859 -0.61 . . . . 63.32 111.039 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.95 151.77 20.53 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.807 -0.633 . . . . 74.13 110.892 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -96.75 145.32 25.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.92 -0.582 . . . . 73.5 110.712 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.6 p 41.99 -177.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.817 1.247 . . . . 73.42 114.22 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -130.73 -43.37 1.11 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.218 -0.446 . . . . 53.12 111.165 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.236 0.348 0 O-C-N 123.378 0.424 . . . . 72.15 110.812 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 111.903 0.335 . . . . 75.44 111.903 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -74.12 133.8 42.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.972 0.415 . . . . 74.54 111.25 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.19 -24.08 66.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.526 -0.761 . . . . 62.14 111.563 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 t -97.28 -46.24 6.19 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.739 -0.664 . . . . 73.32 110.814 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.76 148.16 25.61 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.36 0.412 . . . . 65.02 110.982 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.87 46.42 1.36 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.578 -0.897 . . . . 63.35 108.578 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' HD23 ' A' ' 10' ' ' LEU . 87.3 tttt -120.12 135.88 54.8 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.443 -1.253 . . . . 72.21 110.533 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -65.66 119.15 10.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.9 -0.591 . . . . 73.24 110.742 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' A' ' 22' ' ' GLU . 13.0 mt -71.54 97.9 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.128 0.49 . . . . 73.32 109.808 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.557 HH21 HH22 ' A' ' 104' ' ' ARG . 28.5 ptt180 -148.27 171.8 15.38 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.171 -0.922 . . . . 73.25 111.979 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 56.3 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.805 1.242 . . . . 73.32 113.835 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.9 t80 -76.84 -60.44 2.36 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.54 0.336 . . . . 62.12 110.742 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.655 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 30.38 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.276 1.43 . . . . 64.3 114.817 179.051 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.5 mtt 49.53 40.69 19.84 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.139 0.976 . . . . 73.45 112.538 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -116.44 169.02 9.64 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.56 -0.746 . . . . 74.24 111.611 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.25 167.27 9.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.44 -0.8 . . . . 73.33 110.928 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -86.75 122.55 30.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.337 -0.392 . . . . 74.14 111.364 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -97.08 -179.02 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.683 -0.69 . . . . 61.35 109.474 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.694 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -48.39 -66.82 0.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.773 1.027 . . . . 71.52 113.773 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.38 -42.74 2.54 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.466 0.543 . . . . 64.13 112.466 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 73.5 mttt -108.64 153.93 22.71 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.269 0.355 . . . . 74.21 111.655 -178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -112.67 138.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.9 -0.591 . . . . 70.13 109.817 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 32.9 m-85 -117.85 150.44 39.17 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.052 -0.522 . . . . 73.03 111.137 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.84 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 18.1 m80 -65.58 164.18 14.71 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.735 -0.469 . . . . 71.24 109.735 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.21 -47.61 76.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.696 0.225 . . . . 74.42 110.683 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.54 -24.88 66.43 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.962 -0.563 . . . . 72.11 111.385 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.84 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 37.0 m -86.26 -5.28 59.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.754 -0.657 . . . . 50.41 112.316 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -94.07 55.29 2.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.517 0.675 . . . . 74.33 110.388 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -121.37 160.73 23.43 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.183 -0.917 . . . . 61.52 111.747 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 23.3 t -66.15 146.95 54.05 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.215 0.606 . . . . 74.45 111.656 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.97 -6.52 38.78 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.433 0.458 . . . . 44.53 112.08 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.84 -48.99 3.91 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.911 0.337 . . . . 62.42 111.911 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.9 p -110.0 -4.2 16.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.752 0.279 . . . . 72.25 111.752 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 65.0 11.81 7.39 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.157 0.983 . . . . 74.42 113.079 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.0 tttt -65.94 162.4 19.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.56 0.344 . . . . 63.34 111.33 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -101.58 151.41 22.02 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.029 -0.532 . . . . 71.44 110.902 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -104.98 136.59 44.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.73 -0.668 . . . . 74.55 111.015 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.57 165.48 14.95 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.294 -0.866 . . . . 65.21 111.07 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.68 140.57 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 122.934 0.494 . . . . 73.4 111.616 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.97 5.92 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 115.935 -0.575 . . . . 64.22 113.133 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.58 152.39 19.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.326 0.25 . . . . 71.24 111.277 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -88.22 142.92 27.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.4 153.56 46.95 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.066 -0.515 . . . . 65.34 111.314 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 tt -116.23 126.26 53.37 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.52 -0.763 . . . . 63.11 109.663 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -89.26 113.63 24.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.907 -0.588 . . . . 55.3 110.748 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.13 176.42 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-N 115.518 -0.764 . . . . 70.24 110.652 179.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -47.77 -33.94 7.83 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.882 1.067 . . . . 75.13 113.882 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.2 m -120.03 -57.88 1.91 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.852 0.686 . . . . 70.43 112.852 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.33 -163.12 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.025 0.38 . . . . 75.52 112.025 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -105.52 138.68 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 122.86 0.464 . . . . 73.24 110.045 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 68' ' ' TRP . 17.0 t -120.78 126.61 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 123.517 0.511 . . . . 72.23 110.384 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.25 159.36 23.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.885 -0.598 . . . . 72.41 111.929 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.652 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.9 tt0 -63.11 -20.48 65.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.914 0.485 . . . . 74.23 111.647 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -67.02 -41.7 86.17 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.762 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.4 6.09 21.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.643 0.608 . . . . 42.3 112.643 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.21 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.223 0.823 . . . . 73.54 113.223 -178.502 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.82 -53.23 60.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.07 0.548 . . . . 70.12 112.478 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.599 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.12 -39.84 93.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.778 0.659 . . . . 63.44 112.778 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.467 ' CD1' HG21 ' A' ' 60' ' ' VAL . 58.1 t-105 -65.5 -51.3 61.04 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.633 0.373 . . . . 73.13 111.76 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 p -64.33 -29.42 70.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.059 0.457 . . . . 70.34 111.367 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 31.6 tttp -65.56 -41.43 92.97 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.05 -0.977 . . . . 73.44 112.011 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.599 HG12 ' O ' ' A' ' 67' ' ' GLU . 14.0 mm -84.73 -46.95 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.09 -0.505 . . . . 74.41 111.702 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -76.81 -29.83 56.16 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.698 0.629 . . . . 73.23 112.698 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.606 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.532 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.442 0.163 . . . . 73.24 110.845 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.1 t -102.65 134.48 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 115.97 -0.559 . . . . 64.22 110.065 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -120.14 153.89 35.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.663 -0.699 . . . . 73.44 110.895 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.16 149.97 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.983 -0.553 . . . . 61.23 110.538 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.14 110.27 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.893 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.04 151.01 52.02 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.629 -0.714 . . . . 65.22 113.751 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.98 116.75 35.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 122.922 0.489 . . . . 70.12 111.616 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.9 152.97 80.03 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.511 2.141 . . . . 72.51 112.965 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -107.46 121.45 44.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.879 -0.6 . . . . 74.13 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.82 151.15 47.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.865 -0.607 . . . . 74.54 111.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.7 mmt 41.09 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.711 1.204 . . . . 54.23 113.585 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.88 55.03 0.56 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.534 -0.757 . . . . 64.12 112.42 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.93 151.72 5.59 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.515 -0.374 . . . . 74.41 112.51 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -124.11 150.31 45.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.716 0.293 . . . . 65.14 111.068 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 48.73 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.395 1.078 . . . . 72.24 112.685 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -127.16 -163.31 11.41 Favored Glycine 0 C--O 1.235 0.207 0 CA-C-N 114.319 -1.309 . . . . 61.51 112.543 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -133.87 85.65 2.22 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.285 0.564 . . . . 72.42 110.623 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -88.43 -32.92 18.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.377 -0.829 . . . . 62.44 111.968 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -84.39 -27.3 27.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.111 0.411 . . . . 61.45 112.111 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -87.07 -27.7 22.99 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.79 0.293 . . . . 75.34 111.79 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.557 HH22 HH21 ' A' ' 19' ' ' ARG . 79.2 mtp180 -92.15 -4.24 54.52 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.335 0.397 . . . . 72.2 111.904 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.6 tt -92.56 -43.48 9.12 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.532 -0.304 . . . . 75.13 111.144 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -99.06 125.77 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.324 0.39 . . . . 42.53 111.374 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 p -139.06 139.39 37.76 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.879 -0.6 . . . . 74.35 110.994 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -99.38 -43.3 6.62 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.953 -0.567 . . . . 72.22 111.272 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.2 146.58 45.07 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.289 0.368 . . . . 63.32 110.905 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.04 23.75 6.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.876 -0.602 . . . . 74.13 111.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.41 131.84 47.31 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.846 -0.615 . . . . 73.5 110.852 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -103.77 143.48 32.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.925 -0.58 . . . . 73.42 111.092 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -114.15 150.27 34.42 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.848 -0.615 . . . . 53.12 110.907 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.919 -0.582 . . . . 72.15 110.834 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 3.7 mm? . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.107 0.479 . . . . 75.44 111.8 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 38.9 t -64.89 148.61 51.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.123 -0.944 . . . . 74.54 111.954 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.31 -36.52 83.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.327 -0.851 . . . . 62.14 111.799 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -96.03 -41.8 8.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.655 -0.702 . . . . 73.32 111.61 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -97.76 155.48 17.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.107 0.254 . . . . 65.02 110.867 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.6 27.41 2.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.256 0.55 . . . . 63.35 110.325 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -113.98 138.28 50.57 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.478 -0.783 . . . . 72.21 110.415 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HA ' ' HA ' ' A' ' 10' ' ' LEU . 44.2 mtt180 -66.03 155.85 35.47 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 115.629 -0.714 . . . . 73.24 111.209 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.617 HG12 ' CD2' ' A' ' 33' ' ' HIS . 78.2 mt -120.04 98.09 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 121.429 0.633 . . . . 73.32 112.402 -177.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.591 ' HA ' ' OE2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -150.69 159.77 44.29 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.759 -1.11 . . . . 73.25 110.897 178.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.471 ' H ' ' HD3' ' A' ' 19' ' ' ARG . . . 51.08 -81.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 124.307 1.043 . . . . 73.32 113.807 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -64.79 -20.23 66.26 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.895 0.478 . . . . 62.12 110.838 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.591 ' OE2' ' HA ' ' A' ' 19' ' ' ARG . 4.2 pt-20 -29.05 -60.71 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.783 1.233 . . . . 64.3 113.874 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.832 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 25.6 mmt 40.46 68.23 0.43 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.851 0.834 . . . . 73.45 110.234 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.409 ' N ' ' HA ' ' A' ' 92' ' ' THR . 14.9 t -157.5 -173.79 4.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 114.6 -1.182 . . . . 74.24 110.081 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.537 ' HB2' ' N ' ' A' ' 89' ' ' GLY . 3.1 ppp? -117.2 164.52 14.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.691 -0.404 . . . . 73.33 112.064 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.759 ' H ' ' H ' ' A' ' 90' ' ' GLU . 40.9 ttt180 -100.11 122.85 43.61 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 74.14 109.939 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.4 t -89.96 -179.18 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.903 -0.59 . . . . 61.35 110.191 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.637 ' H ' HG12 ' A' ' 27' ' ' VAL . 89.6 mttt -48.59 -62.6 1.42 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.731 1.012 . . . . 71.52 113.731 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.59 -38.1 2.92 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.137 0.421 . . . . 64.13 112.137 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 81.2 mttt -99.99 154.2 18.58 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.523 0.515 . . . . 74.21 111.549 -178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -120.11 135.39 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.259 -0.645 . . . . 70.13 109.259 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 73.5 m-85 -123.24 146.6 47.71 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.455 0.472 . . . . 73.03 111.674 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.819 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 28.3 m80 -64.91 174.01 2.08 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.395 0.678 . . . . 71.24 111.831 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.685 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.5 pp -65.52 -47.03 77.35 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 109.946 -0.391 . . . . 74.42 109.946 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.14 -20.49 66.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.191 -0.913 . . . . 72.11 110.808 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.819 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 13.9 m -96.72 -4.48 40.65 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.251 -0.886 . . . . 50.41 112.238 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -115.41 58.96 0.72 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.375 0.607 . . . . 74.33 110.342 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -120.97 159.8 24.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.412 -0.813 . . . . 61.52 111.64 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.4 t -66.12 146.97 54.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.603 -0.726 . . . . 74.45 111.861 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.06 -1.35 57.8 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.923 -0.58 . . . . 44.53 111.988 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.29 -48.2 2.97 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.053 0.39 . . . . 62.42 112.053 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.1 p -110.37 -6.75 14.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.875 0.324 . . . . 72.25 111.875 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 17.8 mm-40 65.01 10.67 6.46 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.101 0.96 . . . . 74.42 112.998 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 63.1 tttt -65.9 161.7 20.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.698 0.399 . . . . 63.34 111.518 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -97.05 153.9 17.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.762 -0.654 . . . . 71.44 111.033 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -102.6 148.66 25.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.931 -0.577 . . . . 74.55 111.13 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -121.15 161.45 21.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.995 -1.002 . . . . 65.21 111.85 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.83 136.4 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.87 -0.605 . . . . 73.4 112.422 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.44 6.14 58.75 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.95 -0.568 . . . . 64.22 113.586 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.9 m-20 -119.62 147.57 44.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.798 0.299 . . . . 71.24 111.06 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -90.04 138.1 31.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.809 -0.632 . . . . 74.23 110.875 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.425 ' OH ' HG13 ' A' ' 27' ' ' VAL . 44.2 p90 -128.57 159.9 34.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.061 -0.518 . . . . 65.34 111.524 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tt -117.71 125.96 51.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.566 -0.743 . . . . 63.11 109.457 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 tt -91.11 110.83 22.11 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.961 -0.563 . . . . 55.3 110.462 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -88.38 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.557 -0.747 . . . . 70.24 110.875 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -47.95 -35.49 10.85 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.681 0.993 . . . . 75.13 113.681 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.508 ' H ' HG23 ' A' ' 55' ' ' ILE . 51.5 m -107.79 -72.23 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.097 0.406 . . . . 70.43 112.097 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.39 -164.98 1.14 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.25 0.22 . . . . 75.52 111.538 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -95.66 142.73 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 122.679 0.391 . . . . 73.24 110.224 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.511 HG21 ' CD1' ' A' ' 68' ' ' TRP . 10.9 t -120.34 125.05 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 O-C-N 123.543 0.527 . . . . 72.23 109.999 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 p -62.83 157.28 21.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.139 0.575 . . . . 72.41 112.122 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -60.9 -21.65 63.56 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.929 -0.578 . . . . 74.23 111.994 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -41.04 86.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.744 0.417 . . . . 75.13 111.691 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -110.44 5.83 21.68 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.666 0.617 . . . . 42.3 112.666 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.55 -53.62 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 113.141 0.793 . . . . 73.54 113.141 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.0 t80 -60.07 -52.87 63.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.582 0.586 . . . . 70.12 112.582 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.0 -39.18 93.08 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.781 0.66 . . . . 63.44 112.781 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CD1' HG21 ' A' ' 60' ' ' VAL . 61.2 t-105 -65.4 -53.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.555 0.342 . . . . 73.13 111.255 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -61.39 -28.93 69.6 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.27 0.557 . . . . 70.34 111.166 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 58.0 tttt -65.1 -38.51 90.93 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.913 -1.039 . . . . 73.44 112.684 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.2 mm -84.19 -47.55 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 112.974 0.731 . . . . 74.41 112.974 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -92.75 -30.04 15.72 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 113.126 0.787 . . . . 73.23 113.126 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.549 0 C-N-CA 121.024 -0.608 . . . . 72.21 112.747 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.524 0.202 . . . . 73.24 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 t -125.41 137.91 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.842 -0.617 . . . . 64.22 109.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.501 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 66.7 mtm -108.51 147.45 31.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.78 -0.646 . . . . 73.44 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.92 148.44 6.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.865 -0.607 . . . . 61.23 110.766 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 50' ' ' ASP . 96.8 t -58.99 109.82 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 115.712 -0.677 . . . . 74.03 111.375 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.537 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.42 -117.6 0.01 OUTLIER Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.138 -0.937 . . . . 65.22 114.92 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.759 ' H ' ' H ' ' A' ' 26' ' ' ARG . 11.0 mt-10 -49.96 164.58 0.35 Allowed Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 124.407 1.083 . . . . 70.12 112.513 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -83.3 147.14 12.69 Favored 'Trans proline' 0 C--N 1.375 1.935 0 N-CA-C 117.27 1.989 . . . . 72.51 117.27 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.768 ' HA ' ' C ' ' A' ' 23' ' ' MET . 7.5 t -102.17 164.63 11.59 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 111.527 -2.579 . . . . 74.13 107.615 174.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.832 ' H ' ' HB3' ' A' ' 23' ' ' MET . 5.4 tt -39.84 97.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.851 1.261 . . . . 74.54 112.774 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 tpp -66.46 -48.86 68.57 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.361 -1.29 . . . . 54.23 112.082 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -118.97 -85.58 0.99 Allowed Glycine 0 C--N 1.343 0.932 0 O-C-N 123.379 0.424 . . . . 64.12 112.988 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.31 -164.1 28.72 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 121.303 -0.475 . . . . 74.41 112.882 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -103.41 161.95 13.42 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.514 0.326 . . . . 65.14 110.982 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -87.47 -42.9 12.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.096 -0.502 . . . . 72.24 111.667 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.89 138.7 3.02 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 121.366 -0.445 . . . . 61.51 112.731 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -129.76 60.83 1.58 Allowed 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.478 0.656 . . . . 72.42 110.425 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -88.19 -23.04 23.7 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.345 -0.843 . . . . 62.44 112.176 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.66 -20.77 30.75 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.573 0.582 . . . . 61.45 112.573 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.12 -15.17 39.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.372 0.508 . . . . 75.34 112.372 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -89.61 -29.67 18.68 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.044 0.387 . . . . 72.2 112.044 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -41.76 10.84 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.394 0.434 . . . . 75.13 111.694 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.98 151.01 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 123.348 0.405 . . . . 42.53 111.51 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 p -127.17 125.11 40.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.897 -0.592 . . . . 74.35 110.973 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -105.42 138.5 41.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.907 -0.588 . . . . 72.22 110.867 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.55 140.42 51.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.875 -0.602 . . . . 63.32 110.975 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.01 143.92 32.54 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.846 -0.615 . . . . 74.13 110.804 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -128.69 142.53 50.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.879 -0.601 . . . . 73.5 110.866 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.2 t -103.33 -44.1 5.25 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.83 -0.623 . . . . 73.42 111.306 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -99.06 149.74 22.72 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.422 0.451 . . . . 53.12 110.975 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 115.879 -0.601 . . . . 72.15 111.019 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.737 0.303 . . . . 75.44 111.476 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 t -95.06 114.13 25.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.51 -0.768 . . . . 74.54 110.128 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -65.99 -6.35 12.41 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.961 1.097 . . . . 62.14 113.961 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -98.0 -53.68 3.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.923 0.342 . . . . 73.32 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 p -100.9 0.74 38.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.325 0.491 . . . . 65.02 112.325 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 57.28 28.87 15.86 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.687 0.795 . . . . 63.35 112.451 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -104.66 142.97 33.73 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.88 -0.6 . . . . 72.21 110.161 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -65.5 125.12 24.18 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.759 -0.655 . . . . 73.24 111.411 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 22' ' ' GLU . 64.1 mt -76.56 142.61 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 109.367 -0.605 . . . . 73.32 109.367 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -121.51 -174.4 2.85 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.453 0.47 . . . . 73.25 111.884 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -19.67 18.21 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.425 0.898 . . . . 73.32 113.425 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.615 ' O ' ' HG2' ' A' ' 23' ' ' MET . 66.3 t80 -68.7 -63.93 0.96 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.759 -0.459 . . . . 62.12 109.759 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.632 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 32.96 -71.12 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.874 1.805 . . . . 64.3 115.874 178.75 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 39.0 mmt 49.71 44.69 24.78 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.664 0.745 . . . . 73.45 110.826 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 22' ' ' GLU . 42.1 p -117.79 169.49 9.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.898 -1.046 . . . . 74.24 112.248 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -104.63 159.54 15.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.365 -0.834 . . . . 73.33 110.073 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -86.65 119.63 27.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.962 0.41 . . . . 74.14 111.391 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.677 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -91.69 -179.24 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 115.326 -0.852 . . . . 61.35 109.537 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.677 ' H ' HG12 ' A' ' 27' ' ' VAL . 86.6 mttt -53.43 -64.4 0.83 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.652 0.982 . . . . 71.52 113.652 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.63 -42.58 2.52 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 112.619 0.6 . . . . 64.13 112.619 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.9 mttt -108.89 141.76 40.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.242 0.46 . . . . 74.21 112.242 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.47 140.26 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.756 -0.831 . . . . 70.13 108.756 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 12' ' ' ALA . 36.5 m-85 -128.48 155.56 44.62 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.367 0.417 . . . . 73.03 111.51 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.677 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 19.8 m80 -65.42 157.92 28.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.977 0.511 . . . . 71.24 110.947 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.3 pp -65.64 -45.62 82.36 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.775 0.322 . . . . 74.42 110.712 178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.21 -27.1 67.72 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.523 -0.762 . . . . 72.11 111.51 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 29.1 m -89.08 -3.33 58.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.761 -0.654 . . . . 50.41 111.882 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -89.17 55.99 3.51 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.527 0.679 . . . . 74.33 110.171 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -120.68 163.41 18.11 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.118 -0.947 . . . . 61.52 111.748 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 33.7 t -65.91 147.02 54.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.439 0.695 . . . . 74.45 111.719 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.07 -12.0 34.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.872 0.693 . . . . 44.53 112.872 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -102.57 -50.38 3.59 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.29 0.478 . . . . 62.42 112.29 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 19.1 p -105.4 -5.2 20.6 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.864 0.32 . . . . 72.25 111.864 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.2 mm-40 64.87 11.98 7.4 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.198 0.999 . . . . 74.42 113.286 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 58.7 tttt -65.79 162.81 17.99 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.562 0.345 . . . . 63.34 111.309 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -99.33 153.02 19.3 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.156 -0.475 . . . . 71.44 111.14 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -104.04 146.29 28.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.646 -0.706 . . . . 74.55 111.02 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 t -120.63 158.28 27.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.408 -0.815 . . . . 65.21 111.032 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.7 134.06 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.094 -0.503 . . . . 73.4 112.184 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -24.41 23.23 Favored Glycine 0 C--N 1.337 0.638 0 O-C-N 123.605 0.566 . . . . 64.22 113.374 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.04 152.67 19.16 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.364 0.266 . . . . 71.24 111.34 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -85.77 136.81 33.18 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.89 -0.595 . . . . 74.23 111.229 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.439 ' OH ' HG13 ' A' ' 27' ' ' VAL . 26.6 p90 -126.21 153.75 44.25 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.543 0.527 . . . . 65.34 111.344 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.0 tp -112.67 131.31 55.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.707 -0.679 . . . . 63.11 109.644 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -94.59 110.58 22.38 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.568 0.543 . . . . 55.3 110.268 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.67 176.04 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 115.659 -0.7 . . . . 70.24 110.77 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -48.03 -35.05 10.38 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.772 1.027 . . . . 75.13 113.772 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.487 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.8 m -120.18 -56.55 1.99 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.825 0.676 . . . . 70.43 112.825 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.591 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.23 -161.3 0.87 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.017 0.377 . . . . 75.52 112.017 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -108.98 143.14 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 122.732 0.413 . . . . 73.24 110.272 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -120.22 125.64 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.906 -0.588 . . . . 72.23 110.081 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 8.4 p -65.57 158.54 26.81 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.072 -0.513 . . . . 72.41 112.181 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 65' ' ' ILE . 9.8 tt0 -63.6 -18.77 64.25 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.71 -0.677 . . . . 74.23 112.402 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -66.27 -52.66 45.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.331 0.493 . . . . 75.13 112.331 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.5 p30 -110.59 15.03 22.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.314 0.487 . . . . 42.3 112.314 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.28 -43.93 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.5 0.72 . . . . 73.54 112.877 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -62.06 -51.45 67.92 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.197 0.599 . . . . 70.12 112.305 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.1 mt-10 -63.98 -42.13 97.31 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.604 0.594 . . . . 63.44 112.604 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.51 ' HE1' HG12 ' A' ' 55' ' ' ILE . 48.8 t-105 -65.2 -46.41 80.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.602 0.361 . . . . 73.13 111.917 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 p -65.26 -29.56 70.34 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.808 0.443 . . . . 70.34 111.717 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.37 -41.48 93.72 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.568 -0.742 . . . . 73.44 111.689 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.4 mt -84.64 -47.29 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 123.411 0.444 . . . . 74.41 111.371 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -79.63 -0.91 35.78 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.845 -0.616 . . . . 73.23 112.569 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.723 0 C-N-CA 121.375 -0.44 . . . . 72.21 112.533 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.507 0.194 . . . . 73.24 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.89 145.77 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 115.905 -0.588 . . . . 64.22 110.029 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.676 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 5.6 mmt -119.35 150.95 39.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.883 -0.599 . . . . 73.44 110.973 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.31 142.42 14.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.01 -0.541 . . . . 61.23 110.359 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.46 110.26 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 123.444 0.465 . . . . 74.03 110.676 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.98 150.4 51.81 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.741 -0.663 . . . . 65.22 113.452 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.23 111.66 7.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.645 0.378 . . . . 70.12 111.584 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.89 162.29 32.83 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.408 2.072 . . . . 72.51 112.53 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -102.58 110.85 22.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 74.13 110.999 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.611 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 5.8 mp -66.65 150.73 48.62 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.485 -0.78 . . . . 74.54 112.047 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 8.7 ttt -65.9 -41.49 91.41 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.92 -0.582 . . . . 54.23 111.826 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.95 71.48 0.41 Allowed Glycine 0 C--N 1.34 0.759 0 CA-C-N 116.106 -0.497 . . . . 64.12 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.61 -47.89 0.04 OUTLIER Glycine 0 C--N 1.338 0.694 0 C-N-CA 121.35 -0.453 . . . . 74.41 112.75 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -95.8 149.33 21.63 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.311 0.245 . . . . 65.14 111.176 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.93 -41.21 5.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.761 -0.654 . . . . 72.24 111.177 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.68 133.79 8.15 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.473 0.483 . . . . 61.51 112.447 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -121.7 78.79 1.49 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.312 0.577 . . . . 72.42 110.747 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.48 -19.04 26.99 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.395 -0.82 . . . . 62.44 111.982 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 -23.8 29.95 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.392 0.516 . . . . 61.45 112.392 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.11 -29.33 21.92 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.891 0.33 . . . . 75.34 111.891 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -93.35 -1.79 55.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.273 0.358 . . . . 72.2 111.833 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.8 tt -94.95 -45.17 7.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.593 -0.276 . . . . 75.13 111.2 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -105.13 148.25 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 123.27 0.356 . . . . 42.53 111.433 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -140.15 148.07 41.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.653 -0.703 . . . . 74.35 110.92 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -126.71 148.63 49.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.904 -0.589 . . . . 72.22 111.002 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -122.38 149.2 44.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.785 -0.643 . . . . 63.32 110.929 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -118.03 147.5 43.16 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.992 -0.549 . . . . 74.13 111.058 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -123.39 143.99 49.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.793 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.4 p -120.03 -46.1 2.44 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.951 -0.568 . . . . 73.42 111.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -100.15 142.31 31.8 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.393 0.433 . . . . 53.12 110.993 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 C--O 1.234 0.247 0 CA-C-N 115.854 -0.612 . . . . 72.15 110.486 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 111.661 0.245 . . . . 75.44 111.661 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -98.77 120.02 38.51 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.75 -0.659 . . . . 74.54 109.971 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.5 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.15 -6.23 12.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.403 1.26 . . . . 62.14 114.403 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -108.9 -53.94 2.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.469 0.544 . . . . 73.32 112.469 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.0 -2.74 42.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.274 0.472 . . . . 65.02 112.274 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 58.79 24.18 12.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.803 0.841 . . . . 63.35 112.768 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -100.9 147.05 26.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.275 -0.42 . . . . 72.21 110.512 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -65.33 121.34 14.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.918 -0.583 . . . . 73.24 111.063 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.557 HG12 ' NE2' ' A' ' 33' ' ' HIS . 85.9 mt -83.28 98.54 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.516 0.674 . . . . 73.32 110.106 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -147.82 154.08 40.01 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.354 -1.294 . . . . 73.25 111.442 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.18 -70.78 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.625 1.17 . . . . 73.32 113.939 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 6.1 t80 -59.09 -63.47 1.29 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.158 0.583 . . . . 62.12 111.601 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 29.14 -86.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.911 1.448 . . . . 64.3 114.911 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.724 ' HA ' ' O ' ' A' ' 92' ' ' THR . 43.9 mmm 53.93 26.27 6.12 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.453 0.701 . . . . 73.45 112.261 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -119.71 -179.98 4.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.066 -0.516 . . . . 74.24 111.955 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.78 170.74 7.8 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.628 -0.715 . . . . 73.33 111.45 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -95.86 127.68 42.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 74.14 110.462 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.657 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.99 -178.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.829 -0.623 . . . . 61.35 109.716 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.657 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.1 mttt -43.75 -66.14 0.42 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.838 1.051 . . . . 71.52 113.838 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.4 -41.74 2.59 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.235 0.458 . . . . 64.13 112.235 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.5 mttt -102.36 151.73 21.91 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.301 0.376 . . . . 74.21 111.533 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 t -109.0 131.98 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.813 -0.63 . . . . 70.13 109.462 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 85.9 m-85 -121.15 145.33 47.93 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.473 0.483 . . . . 73.03 111.597 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.71 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.9 m80 -65.51 165.95 11.29 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.897 -0.592 . . . . 71.24 111.13 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -65.43 -48.7 71.86 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.613 0.244 . . . . 74.42 110.854 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.57 -29.98 70.18 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.797 -0.638 . . . . 72.11 111.372 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 24.4 m -83.79 -10.32 58.16 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.488 -0.778 . . . . 50.41 111.816 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 46' ' ' PHE . 32.8 t80 -98.03 55.58 1.17 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.42 0.628 . . . . 74.33 109.845 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -121.04 162.17 20.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.399 -0.818 . . . . 61.52 112.069 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.6 t -66.19 147.05 53.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.589 -0.732 . . . . 74.45 111.774 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.42 -3.97 46.03 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.026 -0.534 . . . . 44.53 111.852 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.14 -47.95 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.961 0.356 . . . . 62.42 111.961 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 28.0 p -109.73 -5.39 15.62 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.1 0.25 . . . . 72.25 111.649 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 65.27 10.73 6.7 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.194 0.997 . . . . 74.42 113.044 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.3 tttp -66.13 161.07 22.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.628 0.371 . . . . 63.34 111.376 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -100.8 152.89 19.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.999 -0.546 . . . . 71.44 111.015 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . 32.1 m-85 -107.97 130.87 55.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.735 -0.666 . . . . 74.55 111.333 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.4 m -120.78 171.35 8.67 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.933 -1.03 . . . . 65.21 110.834 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.52 141.51 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 122.81 0.444 . . . . 73.4 112.177 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.84 -34.03 5.91 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.854 -0.612 . . . . 64.22 113.027 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -96.4 152.24 18.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.622 0.248 . . . . 71.24 111.024 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -92.07 141.65 28.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.832 -0.622 . . . . 74.23 111.36 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -123.42 153.56 40.24 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.535 0.522 . . . . 65.34 111.513 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.94 124.59 47.43 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.404 -0.816 . . . . 63.11 109.639 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.41 111.49 20.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.898 -0.592 . . . . 55.3 110.758 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -88.06 176.37 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.53 -0.759 . . . . 70.24 110.728 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -47.76 -34.41 8.42 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.802 1.038 . . . . 75.13 113.802 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.521 ' H ' HG23 ' A' ' 55' ' ' ILE . 16.1 t -115.12 -64.04 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.446 0.535 . . . . 70.43 112.446 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.2 m-20 -120.48 -162.48 0.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.081 0.4 . . . . 75.52 112.081 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -97.48 134.3 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 122.883 0.473 . . . . 73.24 110.141 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.7 124.51 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.465 0.478 . . . . 72.23 110.34 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.9 p -65.02 160.55 20.62 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.819 -0.628 . . . . 72.41 112.061 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.634 ' O ' HG22 ' A' ' 65' ' ' ILE . 48.3 mt-10 -65.02 -19.8 66.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 74.23 111.881 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -66.98 -41.78 86.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.804 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -110.55 5.63 21.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.597 0.592 . . . . 42.3 112.597 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.22 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.097 0.777 . . . . 73.54 113.097 -178.417 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.515 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.8 t80 -59.52 -52.49 65.34 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.972 0.509 . . . . 70.12 112.25 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.08 -38.55 91.11 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.597 0.591 . . . . 63.44 112.597 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -65.23 -52.53 54.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.531 0.332 . . . . 73.13 111.06 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.3 p -62.38 -28.95 70.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.935 0.494 . . . . 70.34 111.014 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 59.9 tttt -65.02 -38.69 91.74 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.976 -1.011 . . . . 73.44 112.683 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.6 mm -84.14 -47.61 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.027 0.751 . . . . 74.41 113.027 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.04 -30.21 15.42 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.18 0.808 . . . . 73.23 113.18 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.471 0 C-N-CA 121.026 -0.607 . . . . 72.21 112.645 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.555 0.217 . . . . 73.24 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.79 141.59 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.907 -0.588 . . . . 64.22 110.054 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 mtt -119.58 151.59 38.41 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.904 -0.589 . . . . 73.44 110.937 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.92 154.07 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.897 -0.592 . . . . 61.23 111.071 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.2 123.01 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 115.66 -0.7 . . . . 74.03 110.748 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.47 175.66 15.43 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-N 115.826 -0.624 . . . . 65.22 113.969 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 119.68 62.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 123.074 0.55 . . . . 70.12 112.092 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.73 170.3 19.33 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.525 2.15 . . . . 72.51 113.141 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.724 ' O ' ' HA ' ' A' ' 23' ' ' MET . 7.8 p -101.94 111.07 23.2 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.991 -0.55 . . . . 74.13 110.147 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.06 153.27 42.7 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.563 0.949 . . . . 74.54 113.563 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 42.67 109.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.32 1.448 . . . . 54.23 113.84 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 21' ' ' TYR . . . -170.39 -39.15 0.03 OUTLIER Glycine 0 C--N 1.337 0.614 0 CA-C-N 114.753 -1.112 . . . . 64.12 112.507 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.438 ' H ' ' HG3' ' A' ' 23' ' ' MET . . . -139.79 -151.26 5.63 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 121.536 -0.364 . . . . 74.41 112.552 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.93 164.06 26.14 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.722 0.307 . . . . 65.14 110.934 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -89.96 -42.36 11.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.209 -0.45 . . . . 72.24 111.674 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.47 -122.07 1.39 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 121.275 -0.488 . . . . 61.51 112.686 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.79 91.6 2.49 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.316 0.579 . . . . 72.42 110.365 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -87.81 -18.7 28.74 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.198 -0.91 . . . . 62.44 112.036 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.08 -23.47 33.1 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.134 0.42 . . . . 61.45 112.134 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.09 -14.85 40.21 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.287 0.367 . . . . 75.34 111.981 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -92.38 5.22 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.402 -0.363 . . . . 72.2 111.769 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -90.65 -41.94 11.04 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.371 -0.377 . . . . 75.13 111.205 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.57 117.99 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.388 -0.369 . . . . 42.53 111.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.8 p -140.24 147.77 40.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.817 -0.629 . . . . 74.35 111.126 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -108.98 148.24 31.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.904 -0.589 . . . . 72.22 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.11 147.03 43.7 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.86 -0.609 . . . . 63.32 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 62.39 125.63 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.925 0.89 . . . . 74.13 112.079 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -114.76 141.3 48.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.751 -0.659 . . . . 73.5 110.852 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.8 t -101.85 124.26 47.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.96 -0.564 . . . . 73.42 111.019 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -130.01 141.73 50.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.859 -0.609 . . . . 53.12 110.492 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--O 1.234 0.281 0 CA-C-N 115.892 -0.594 . . . . 72.15 110.527 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--O 1.235 0.329 0 N-CA-C 112.002 0.371 . . . . 75.44 112.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 42.3 t -76.71 149.32 36.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.637 -0.71 . . . . 74.54 111.371 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -65.84 -35.72 81.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.294 -0.866 . . . . 62.14 112.097 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -97.58 -39.96 8.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.73 -0.668 . . . . 73.32 111.654 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 m -98.3 147.87 24.22 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.2 0.312 . . . . 65.02 111.016 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.03 37.17 1.09 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.665 0.745 . . . . 63.35 109.424 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -111.87 139.87 47.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 114.913 -1.04 . . . . 72.21 110.733 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -65.85 116.02 6.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.776 -0.647 . . . . 73.24 111.244 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 33' ' ' HIS . 52.0 mt -72.67 98.29 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.329 0.585 . . . . 73.32 110.01 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -148.2 -174.95 4.72 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.836 -1.074 . . . . 73.25 111.92 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.34 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.906 1.282 . . . . 73.32 113.671 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' ' HG3' ' A' ' 23' ' ' MET . 58.6 t80 -79.29 -56.9 4.0 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 122.511 0.324 . . . . 62.12 110.414 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 28.8 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.57 1.322 . . . . 64.3 114.57 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.414 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 65.1 mtt 47.09 53.1 11.09 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.113 0.965 . . . . 73.45 111.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.5 p -116.05 162.87 16.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.045 -0.979 . . . . 74.24 112.298 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -103.43 151.4 22.84 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.306 -0.861 . . . . 73.33 109.621 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -80.14 120.68 24.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.399 -0.364 . . . . 74.14 111.684 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.706 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.5 t -87.59 -179.24 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-N 115.709 -0.678 . . . . 61.35 109.581 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.706 ' H ' HG12 ' A' ' 27' ' ' VAL . 94.1 mttt -45.96 -64.45 0.74 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.994 1.109 . . . . 71.52 113.994 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.44 -44.96 2.44 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.061 0.393 . . . . 64.13 112.061 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 30.9 mtmt -110.28 151.92 26.79 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.238 0.336 . . . . 74.21 111.717 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -108.74 150.44 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.953 -0.567 . . . . 70.13 110.193 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 51.2 m-85 -132.04 153.64 50.2 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.012 -0.54 . . . . 73.03 111.268 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.873 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 22.6 m80 -65.61 163.37 16.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.985 0.514 . . . . 71.24 110.507 177.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 22' ' ' GLU . 2.6 mt -59.23 -50.2 74.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.61 0.243 . . . . 74.42 110.848 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.68 -22.75 66.08 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.765 -0.652 . . . . 72.11 111.593 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.873 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.1 m -84.78 -1.42 56.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.702 -0.681 . . . . 50.41 111.844 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.16 55.01 1.73 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.505 0.669 . . . . 74.33 109.804 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -120.97 162.04 20.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.234 -0.894 . . . . 61.52 111.58 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 37.3 t -66.21 147.18 53.71 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.811 -0.631 . . . . 74.45 111.744 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.85 -5.88 49.99 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.917 -0.583 . . . . 44.53 112.331 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.09 -50.58 3.07 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.087 0.403 . . . . 62.42 112.087 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.7 p -107.11 -4.81 18.49 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.774 0.287 . . . . 72.25 111.774 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 64.66 11.28 6.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.102 0.961 . . . . 74.42 113.0 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.3 tttt -65.91 161.99 20.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.669 0.388 . . . . 63.34 111.271 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.14 149.51 22.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.054 -0.521 . . . . 71.44 111.12 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -101.25 145.98 28.14 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.699 -0.682 . . . . 74.55 110.778 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.2 m -120.82 158.24 28.02 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.217 -0.901 . . . . 65.21 111.223 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.72 135.8 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 116.091 -0.504 . . . . 73.4 112.066 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -23.24 25.94 Favored Glycine 0 C--N 1.336 0.58 0 O-C-N 123.564 0.54 . . . . 64.22 113.167 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.8 m-20 -97.09 152.78 18.44 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 122.399 0.28 . . . . 71.24 111.108 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -86.96 139.8 30.23 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.233 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -129.93 157.02 43.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.09 -0.504 . . . . 65.34 111.343 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.53 129.39 56.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.668 -0.696 . . . . 63.11 109.663 178.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.98 115.0 27.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.947 -0.569 . . . . 55.3 110.667 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -92.9 176.16 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 115.692 -0.686 . . . . 70.24 110.68 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -48.01 -35.0 10.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.815 1.043 . . . . 75.13 113.815 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.481 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.8 t -120.13 -56.77 1.98 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.756 0.65 . . . . 70.43 112.756 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.605 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.1 m-20 -120.24 -161.53 0.88 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.128 0.418 . . . . 75.52 112.128 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.2 mt -110.28 141.8 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 122.823 0.449 . . . . 73.24 110.033 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 11.8 t -120.77 128.35 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 123.53 0.519 . . . . 72.23 110.403 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.4 158.47 26.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.909 -0.587 . . . . 72.41 112.084 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.3 mt-10 -61.2 -21.68 64.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.009 0.524 . . . . 74.23 111.885 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -67.06 -40.95 87.18 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.666 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -110.38 5.82 21.8 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.667 0.618 . . . . 42.3 112.667 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.56 -53.88 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 113.175 0.805 . . . . 73.54 113.175 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.1 t80 -59.26 -53.41 58.59 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.661 0.615 . . . . 70.12 112.661 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.16 -40.45 94.35 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.898 0.703 . . . . 63.44 112.898 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.8 t-105 -65.5 -50.88 63.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.585 0.354 . . . . 73.13 111.886 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.2 p -62.79 -29.48 70.75 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.972 0.415 . . . . 70.34 111.345 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 38.0 tttm -65.44 -42.15 92.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.124 -0.943 . . . . 73.44 111.893 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.2 mm -84.6 -46.98 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.857 -0.61 . . . . 74.41 111.76 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -76.8 -29.86 56.2 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.664 0.616 . . . . 73.23 112.664 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.641 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.557 179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.469 0.176 . . . . 73.24 110.791 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -106.11 134.18 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 115.948 -0.569 . . . . 64.22 110.0 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -120.21 155.88 32.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.639 -0.71 . . . . 73.44 111.367 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 50' ' ' ASP . 9.6 p -95.69 147.86 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.664 -0.698 . . . . 61.23 110.324 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.59 109.19 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 120.878 0.37 . . . . 74.03 111.345 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.66 168.66 39.17 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.491 -0.777 . . . . 65.22 113.321 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.25 157.5 81.27 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 119.044 -0.503 . . . . 70.12 111.318 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -76.53 136.14 17.09 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.247 1.965 . . . . 72.51 112.67 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -119.72 120.72 37.4 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.949 -0.569 . . . . 74.13 111.165 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.578 ' HA ' ' OE2' ' A' ' 22' ' ' GLU . 2.5 pp -65.54 151.22 46.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.77 -0.65 . . . . 74.54 112.044 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.404 ' HB2' ' OE1' ' A' ' 22' ' ' GLU . 9.4 ttt -65.49 151.26 46.81 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.95 -0.568 . . . . 54.23 111.655 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -145.05 -80.61 0.04 OUTLIER Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.829 -0.623 . . . . 64.12 112.485 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.36 90.16 0.08 OUTLIER Glycine 0 C--N 1.337 0.618 0 C-N-CA 121.408 -0.425 . . . . 74.41 112.61 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -129.15 132.82 47.39 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.645 0.262 . . . . 65.14 110.766 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -128.79 -36.88 1.79 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.89 -0.595 . . . . 72.24 111.479 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.37 -143.49 12.5 Favored Glycine 0 C--N 1.341 0.835 0 O-C-N 123.385 0.428 . . . . 61.51 112.832 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.78 93.19 2.48 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.351 0.596 . . . . 72.42 110.615 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -87.91 -18.73 28.52 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.254 -0.884 . . . . 62.44 112.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.12 -27.13 30.38 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.027 0.38 . . . . 61.45 112.027 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.08 -10.17 53.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.287 0.367 . . . . 75.34 111.881 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.9 -7.78 55.45 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.417 -0.356 . . . . 72.2 111.868 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.81 -39.09 11.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.434 -0.348 . . . . 75.13 111.074 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.9 mp 65.63 127.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.782 0.833 . . . . 42.53 110.969 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.0 p -100.31 150.88 22.12 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.766 -0.652 . . . . 74.35 111.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.17 148.24 24.82 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.896 -0.593 . . . . 72.22 110.946 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.56 149.06 49.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.896 -0.593 . . . . 63.32 110.929 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.57 147.42 50.34 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.924 -0.58 . . . . 74.13 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.37 145.28 37.81 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.662 0.601 . . . . 73.5 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -103.61 -47.53 4.22 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.853 -0.612 . . . . 73.42 111.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 63.32 127.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.951 0.9 . . . . 53.12 112.073 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 N--CA 1.485 1.324 0 C-N-CA 124.016 0.926 . . . . 72.15 112.101 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 111.561 0.208 . . . . 75.44 111.561 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 26.0 t -80.66 109.68 15.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 121.292 0.568 . . . . 74.54 111.102 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.93 -13.25 59.39 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.105 1.15 . . . . 62.14 114.105 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.5 p -92.84 -50.91 5.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.293 0.479 . . . . 73.32 112.293 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.8 p -100.1 6.14 44.94 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 111.831 0.308 . . . . 65.02 111.831 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.5 45.06 5.38 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.556 1.142 . . . . 63.35 112.78 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -120.26 152.1 38.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.491 -0.777 . . . . 72.21 110.446 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -65.56 122.83 18.13 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.899 -0.591 . . . . 73.24 111.754 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.474 HG12 ' NE2' ' A' ' 33' ' ' HIS . 33.9 mt -85.91 98.19 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 109.11 -0.7 . . . . 73.32 109.11 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.6 tmt_? -148.23 157.19 43.35 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.286 -0.87 . . . . 73.25 111.617 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 56.5 -71.18 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.858 1.263 . . . . 73.32 114.382 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' ' HG3' ' A' ' 23' ' ' MET . 5.7 t80 -68.13 -62.76 1.25 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.563 0.345 . . . . 62.12 111.58 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 33.62 -84.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.879 1.272 . . . . 64.3 114.158 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 64.4 mtt 51.31 35.75 14.54 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.944 0.898 . . . . 73.45 112.388 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -123.29 174.05 7.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.599 -0.728 . . . . 74.24 111.292 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.75 162.35 12.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 73.33 111.211 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -88.33 118.68 28.12 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.154 -0.475 . . . . 74.14 111.28 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.3 t -89.48 -179.19 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.613 -0.721 . . . . 61.35 109.615 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.697 ' H ' HG12 ' A' ' 27' ' ' VAL . 45.1 mmtt -51.21 -69.41 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.392 0.886 . . . . 71.52 113.392 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -120.38 -38.74 2.86 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.234 0.457 . . . . 64.13 112.234 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 78.2 mttt -104.52 131.84 51.46 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.231 0.332 . . . . 74.21 111.838 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 7.7 t -101.24 141.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 109.26 -0.644 . . . . 70.13 109.26 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 41.3 m-85 -133.79 147.29 51.24 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.38 -0.373 . . . . 73.03 111.547 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.749 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 39.8 m80 -65.85 164.59 14.55 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.891 -0.595 . . . . 71.24 111.235 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.3 pp -65.37 -47.52 76.12 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.485 0.184 . . . . 74.42 110.959 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.24 -28.1 68.46 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.912 -0.586 . . . . 72.11 111.273 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.749 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 21.0 m -85.98 -8.12 58.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.696 -0.683 . . . . 50.41 111.69 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -90.23 63.36 5.73 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.536 0.684 . . . . 74.33 110.261 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 96.2 mttt -120.74 165.79 14.62 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.06 -0.973 . . . . 61.52 111.138 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 45.1 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.391 -0.368 . . . . 74.45 111.705 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.18 -7.23 45.86 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.755 -0.657 . . . . 44.53 110.9 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -109.89 -38.04 5.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.616 -0.72 . . . . 62.42 111.733 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m -113.05 -17.23 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.968 0.359 . . . . 72.25 111.968 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 70.14 4.4 4.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.032 0.933 . . . . 74.42 112.1 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -66.09 167.06 10.57 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.316 0.646 . . . . 63.34 111.427 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -96.36 153.19 17.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.444 -0.344 . . . . 71.44 111.305 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 7.5 m-85 -102.55 157.12 17.16 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.648 -0.705 . . . . 74.55 111.108 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.53 152.89 37.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.542 -0.754 . . . . 65.21 111.087 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.7 128.28 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.914 -0.585 . . . . 73.4 112.218 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.89 -17.13 35.86 Favored Glycine 0 C--N 1.337 0.626 0 O-C-N 123.648 0.593 . . . . 64.22 113.241 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 88' ' ' VAL . 8.1 m-20 -93.43 154.18 18.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.39 0.276 . . . . 71.24 111.137 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -85.26 135.99 33.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.93 -0.577 . . . . 74.23 111.233 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -124.13 163.33 21.74 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.569 0.543 . . . . 65.34 111.58 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 60' ' ' VAL . 11.1 tp -112.94 137.21 51.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.519 -0.764 . . . . 63.11 110.072 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -110.28 108.35 18.42 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.621 -0.881 . . . . 55.3 108.621 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.802 HG21 ' HE1' ' A' ' 68' ' ' TRP . 1.1 tp -118.39 175.69 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 116.053 -0.521 . . . . 70.24 110.939 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.552 ' H ' HG13 ' A' ' 55' ' ' ILE . 3.1 m-80 -51.6 -38.42 54.5 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.389 0.676 . . . . 75.13 110.753 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.702 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.6 m -111.63 93.71 4.6 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.979 -1.01 . . . . 70.43 110.301 178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.507 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.5 OUTLIER 43.09 -171.27 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.337 1.455 . . . . 75.52 114.863 179.098 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.7 mp -84.7 133.01 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.02 -0.991 . . . . 73.24 111.626 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 53' ' ' LEU . 1.1 m -114.58 132.48 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 123.804 0.69 . . . . 72.23 109.7 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.9 p -65.56 160.31 22.69 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.24 0.83 . . . . 72.41 113.24 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -60.29 -18.05 46.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.173 0.989 . . . . 74.23 112.832 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.63 -47.17 76.52 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.051 0.389 . . . . 75.13 112.051 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.96 15.37 21.78 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.411 0.522 . . . . 42.3 112.411 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -54.97 -53.39 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 112.894 0.702 . . . . 73.54 112.894 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.526 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.6 t80 -59.9 -52.75 64.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.444 0.465 . . . . 70.12 112.023 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.597 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.1 mt-10 -65.39 -38.15 89.13 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.517 0.562 . . . . 63.44 112.517 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.802 ' HE1' HG21 ' A' ' 55' ' ' ILE . 48.7 t-105 -65.42 -51.85 57.39 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.708 0.403 . . . . 73.13 111.504 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.1 p -64.43 -29.67 70.72 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.022 0.439 . . . . 70.34 111.282 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 29.8 tttp -65.71 -43.14 90.03 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.162 -0.926 . . . . 73.44 111.842 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 67' ' ' GLU . 16.5 mm -85.24 -47.15 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.078 -0.51 . . . . 74.41 111.928 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -79.22 -30.0 43.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.847 0.684 . . . . 73.23 112.847 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.617 0 C-N-CA 121.297 -0.477 . . . . 72.21 112.514 -179.927 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.599 0.238 . . . . 73.24 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.36 148.98 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 115.898 -0.592 . . . . 64.22 109.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -111.97 142.07 44.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.841 -0.618 . . . . 73.44 110.836 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.7 t -97.89 142.05 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 123.583 0.552 . . . . 61.23 110.502 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 50' ' ' ASP . 4.9 t -65.36 110.26 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 116.142 -0.481 . . . . 74.03 110.796 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.27 154.98 51.52 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.74 -0.664 . . . . 65.22 113.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.35 112.12 8.43 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 122.839 0.455 . . . . 70.12 111.803 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.0 160.19 45.58 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.517 2.145 . . . . 72.51 112.823 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -104.04 115.81 31.09 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.561 0.538 . . . . 74.13 111.209 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.95 135.33 54.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.741 -0.663 . . . . 74.54 111.832 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.71 91.48 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.954 -0.566 . . . . 54.23 111.847 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.11 100.63 2.22 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.502 0.501 . . . . 64.12 112.498 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.19 -130.43 2.58 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.409 -0.424 . . . . 74.41 112.546 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.56 123.95 44.3 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.691 0.289 . . . . 65.14 111.139 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -98.48 82.42 2.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.785 -0.643 . . . . 72.24 110.515 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.46 82.06 0.3 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.104 -0.953 . . . . 61.51 112.578 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.55 12.41 33.56 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.76 0.314 . . . . 72.42 111.396 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.11 -30.25 19.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.109 -0.496 . . . . 62.44 111.773 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.66 -27.64 26.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.119 0.414 . . . . 61.45 112.119 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.17 -24.72 24.37 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.175 0.435 . . . . 75.34 112.175 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.17 -37.15 12.89 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.267 0.354 . . . . 72.2 111.742 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.497 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.6 tp -92.84 -34.94 13.64 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.39 0.431 . . . . 75.13 111.348 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.8 pp 43.9 105.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 124.782 1.233 . . . . 42.53 113.74 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.4 p -115.98 -44.86 2.89 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.593 -0.731 . . . . 74.35 111.371 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -115.86 144.64 43.74 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.502 0.501 . . . . 72.22 110.6 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 pp -112.36 152.22 28.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.878 -0.601 . . . . 63.32 111.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.5 126.41 44.05 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.864 -0.607 . . . . 74.13 110.641 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -130.19 148.87 52.08 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.85 -0.614 . . . . 73.5 110.65 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 p -99.63 124.86 45.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 73.42 111.088 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -111.36 146.64 36.75 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.928 -0.578 . . . . 53.12 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 115.899 -0.591 . . . . 72.15 110.974 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 16' ' ' LYS . 5.0 mp . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 112.14 0.422 . . . . 75.44 112.14 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 43.0 t -66.36 120.9 14.11 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 121.306 0.575 . . . . 74.54 111.128 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.554 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.84 -15.05 62.55 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.804 -1.089 . . . . 62.14 113.191 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -98.23 -40.46 8.35 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.127 0.417 . . . . 73.32 112.127 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 m -97.92 -26.74 14.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.683 0.623 . . . . 65.02 112.683 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 66.05 31.02 9.26 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 63.35 110.621 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.499 ' C ' HD23 ' A' ' 10' ' ' LEU . 90.4 mttt -103.31 156.42 17.75 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.216 -0.902 . . . . 72.21 110.359 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.2 108.95 2.04 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.06 -0.518 . . . . 73.24 110.943 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.686 HG23 ' HG3' ' A' ' 22' ' ' GLU . 10.3 mt -73.89 97.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.495 -0.557 . . . . 73.32 109.495 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -148.92 166.87 27.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.431 -0.804 . . . . 73.25 112.04 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 35.92 -76.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.523 1.675 . . . . 73.32 115.523 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -69.04 7.43 0.71 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.097 0.559 . . . . 62.12 112.219 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.686 ' HG3' HG23 ' A' ' 18' ' ' ILE . 1.8 mm-40 -88.76 83.66 6.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 123.883 1.801 . . . . 64.3 111.721 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.871 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 19.1 mmt -100.44 82.39 2.47 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 110.237 -3.165 . . . . 73.45 104.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.4 t -157.66 -172.82 4.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.41 -0.813 . . . . 74.24 112.261 -172.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.54 ' HB2' ' N ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -113.78 165.43 12.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.386 -0.825 . . . . 73.33 111.85 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.743 ' H ' ' H ' ' A' ' 90' ' ' GLU . 46.5 mtt180 -105.95 130.73 53.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.942 -0.572 . . . . 74.14 110.758 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.6 t -92.28 -178.93 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.658 -0.701 . . . . 61.35 109.795 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.641 ' H ' HG12 ' A' ' 27' ' ' VAL . 30.0 mtpt -47.09 -62.05 1.6 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.745 1.017 . . . . 71.52 113.745 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -38.75 2.85 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.119 0.414 . . . . 64.13 112.119 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 79.6 mttt -99.52 155.06 17.77 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.457 0.473 . . . . 74.21 111.641 -178.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 6.7 t -120.07 141.15 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 109.087 -0.708 . . . . 70.13 109.087 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 77.7 m-85 -131.72 151.24 51.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.26 0.35 . . . . 73.03 111.669 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.851 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 45.1 m80 -65.45 171.22 4.15 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.208 0.603 . . . . 71.24 111.377 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.7 pp -65.24 -46.1 81.92 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 120.749 0.309 . . . . 74.42 111.009 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -66.3 -21.25 66.26 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.692 -0.685 . . . . 72.11 111.052 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.851 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 3.7 m -94.82 5.82 50.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.26 -0.882 . . . . 50.41 111.594 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HZ ' ' CE1' ' A' ' 52' ' ' TYR . 13.7 t80 -122.41 64.0 0.95 Allowed 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.372 0.606 . . . . 74.33 110.224 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -120.57 159.5 25.11 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.577 -0.738 . . . . 61.52 111.534 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 21.0 t -66.06 146.69 54.38 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.859 -0.609 . . . . 74.45 111.719 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.99 -3.74 58.88 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.662 0.616 . . . . 44.53 112.662 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -117.16 -47.56 2.67 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.161 0.43 . . . . 62.42 112.161 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.63 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.6 p -109.11 -6.76 15.49 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.033 0.382 . . . . 72.25 112.033 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 15.4 mm-40 63.16 16.35 9.3 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.994 0.918 . . . . 74.42 113.196 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.63 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.0 tttp -65.73 161.76 20.04 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.642 0.377 . . . . 63.34 111.777 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -96.87 154.34 17.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.798 -0.637 . . . . 71.44 110.78 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -110.93 146.64 36.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 74.55 111.295 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.471 ' O ' HG21 ' A' ' 88' ' ' VAL . 51.7 m -121.59 161.53 22.23 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.779 -1.1 . . . . 65.21 111.407 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 m -65.53 129.11 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 112.602 0.594 . . . . 73.4 112.602 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.73 6.36 37.93 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.71 -0.677 . . . . 64.22 113.552 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.4 t70 -115.25 154.72 28.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.77 0.285 . . . . 71.24 110.874 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -97.43 130.2 44.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.86 -0.609 . . . . 74.23 110.518 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CE1' ' HZ ' ' A' ' 37' ' ' PHE . 44.6 p90 -126.04 157.46 37.88 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.378 0.424 . . . . 65.34 111.682 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.75 130.66 56.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.371 -0.832 . . . . 63.11 109.801 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.56 105.74 17.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.983 -0.553 . . . . 55.3 110.141 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -86.64 176.1 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.63 -0.713 . . . . 70.24 110.954 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.418 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.3 m-80 -47.93 -35.81 11.28 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.673 0.99 . . . . 75.13 113.673 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.507 ' H ' HG23 ' A' ' 55' ' ' ILE . 18.0 t -105.52 -75.28 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.969 0.359 . . . . 70.43 111.969 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.598 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.48 -166.41 1.32 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.252 0.221 . . . . 75.52 111.592 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -89.94 142.79 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.846 0.459 . . . . 73.24 110.419 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 68' ' ' TRP . 21.8 t -120.3 118.57 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 O-C-N 123.6 0.562 . . . . 72.23 109.994 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.3 p -60.75 159.58 10.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.268 -0.424 . . . . 72.41 112.026 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 65' ' ' ILE . 42.4 mt-10 -64.38 -18.4 64.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.824 -0.625 . . . . 74.23 112.678 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -51.94 53.11 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.194 0.442 . . . . 75.13 112.194 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.1 p30 -110.77 15.13 22.08 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.756 0.65 . . . . 42.3 112.756 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.08 -49.06 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.77 0.656 . . . . 73.54 112.77 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.559 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 63.7 t80 -57.88 -53.42 58.43 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.965 0.728 . . . . 70.12 112.965 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.29 -39.03 92.01 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.261 0.467 . . . . 63.44 112.261 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.485 ' HE1' HG12 ' A' ' 55' ' ' ILE . 51.2 t-105 -65.47 -45.85 82.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.834 0.453 . . . . 73.13 111.283 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.6 p -62.98 -29.72 71.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.988 -0.551 . . . . 70.34 111.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 66' ' ' TYR . 41.7 mtmt -65.73 -40.87 92.61 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.917 -0.583 . . . . 73.44 112.177 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.2 mm -84.31 -47.03 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.568 -0.742 . . . . 74.41 111.904 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -79.81 -29.97 40.37 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.811 0.671 . . . . 73.23 112.811 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.621 0 C-N-CA 121.315 -0.469 . . . . 72.21 112.64 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.493 0.187 . . . . 73.24 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.6 t -125.58 137.05 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 115.835 -0.621 . . . . 64.22 109.904 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 38.4 mmt -110.07 139.88 44.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.703 -0.681 . . . . 73.44 110.743 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.81 150.11 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 115.794 -0.639 . . . . 61.23 111.021 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 50' ' ' ASP . 58.4 t -58.41 109.96 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.795 -0.639 . . . . 74.03 111.008 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.54 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.28 -120.51 0.01 OUTLIER Glycine 0 C--N 1.345 1.052 0 CA-C-N 114.989 -1.005 . . . . 65.22 115.266 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.743 ' H ' ' H ' ' A' ' 26' ' ' ARG . 6.8 mm-40 -52.84 168.9 0.31 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 124.236 1.014 . . . . 70.12 113.034 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -96.91 170.48 0.89 Allowed 'Trans proline' 0 C--N 1.375 1.958 0 N-CA-C 117.686 2.148 . . . . 72.51 117.686 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 23' ' ' MET . 29.7 p -100.2 167.04 10.69 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 110.507 -3.042 . . . . 74.13 105.984 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.871 ' H ' ' HB3' ' A' ' 23' ' ' MET . 1.5 pp -38.77 97.87 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.405 1.097 . . . . 74.54 113.54 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 37.2 mtt -65.92 -43.87 86.82 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 113.529 -1.669 . . . . 54.23 112.18 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.6 -102.14 0.2 Allowed Glycine 0 C--N 1.34 0.803 0 O-C-N 123.535 0.522 . . . . 64.12 112.479 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.0 -68.97 0.02 OUTLIER Glycine 0 C--N 1.337 0.632 0 C-N-CA 121.382 -0.437 . . . . 74.41 112.677 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.88 144.2 28.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.282 0.233 . . . . 65.14 111.067 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -130.39 -44.56 1.12 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.878 -0.601 . . . . 72.24 111.237 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.39 141.61 12.44 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.361 0.413 . . . . 61.51 112.499 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -136.89 87.79 2.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.266 0.555 . . . . 72.42 110.883 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.28 -19.28 26.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.334 -0.848 . . . . 62.44 111.955 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.66 -17.22 39.26 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.429 0.529 . . . . 61.45 112.429 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -86.18 -18.42 32.24 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.211 0.449 . . . . 75.34 112.211 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -88.17 -29.44 20.52 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 111.949 0.351 . . . . 72.2 111.949 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.3 tt -93.84 -39.85 10.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.334 -0.394 . . . . 75.13 111.036 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.1 pp 44.52 112.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 124.986 1.314 . . . . 42.53 114.119 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.1 p -125.14 143.5 50.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.579 -0.737 . . . . 74.35 111.024 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -109.66 149.6 29.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.984 -0.553 . . . . 72.22 110.999 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.85 140.09 50.2 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.844 -0.616 . . . . 63.32 110.98 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.83 147.31 37.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.902 -0.59 . . . . 74.13 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -108.62 150.19 27.86 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.846 -0.616 . . . . 73.5 110.885 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.3 p -98.4 -52.74 3.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.065 -0.516 . . . . 73.42 111.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 61.47 125.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.926 0.891 . . . . 53.12 112.115 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--O 1.237 0.397 0 CA-C-N 115.858 -0.61 . . . . 72.15 110.539 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 110.513 -0.18 . . . . 75.44 110.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 49.9 t -62.63 129.52 40.93 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.535 0.569 . . . . 74.54 112.535 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.23 69.55 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.862 -1.063 . . . . 62.14 112.833 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -92.84 -53.71 4.05 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.266 0.354 . . . . 73.32 111.546 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 3.2 p -106.85 160.95 15.12 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.177 0.298 . . . . 65.02 110.747 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.62 55.41 3.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.315 0.579 . . . . 63.35 110.718 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.606 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 89.0 mttt -120.81 129.57 53.62 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.512 -0.767 . . . . 72.21 110.929 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.57 132.66 49.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.945 -0.57 . . . . 73.24 111.49 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.1 mt -74.2 129.91 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.026 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' H ' ' CG ' ' A' ' 22' ' ' GLU . 26.3 mmt180 -130.61 -174.41 3.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.174 -0.467 . . . . 73.25 111.894 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' MET . . . -56.37 -45.41 80.53 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.372 0.878 . . . . 73.32 113.372 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -71.81 -32.51 67.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.753 0.311 . . . . 62.12 110.604 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.662 ' O ' HD23 ' A' ' 34' ' ' LEU . 5.5 mm-40 -60.11 -34.14 73.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.469 -0.787 . . . . 64.3 112.553 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 73.6 mtm 33.88 104.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.481 1.112 . . . . 73.45 113.218 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 p -123.34 139.82 53.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 74.24 112.0 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 27' ' ' VAL . 2.0 ppp? -95.58 167.67 11.16 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.187 -0.915 . . . . 73.33 110.81 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.11 110.93 18.87 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.925 0.393 . . . . 74.14 111.127 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 25' ' ' MET . 1.6 t -96.96 -178.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.572 -0.74 . . . . 61.35 109.562 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.626 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.8 mttt -52.8 -69.66 0.11 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.728 0.64 . . . . 71.52 112.728 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.83 -42.44 2.51 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.051 0.389 . . . . 64.13 112.051 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.6 mttt -112.26 143.18 43.76 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.348 0.405 . . . . 74.21 111.952 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.3 t -101.01 145.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 115.678 -0.692 . . . . 70.13 109.2 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -133.55 152.22 51.86 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.285 0.476 . . . . 73.03 112.285 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.603 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m170 -65.66 159.29 25.21 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.387 -0.824 . . . . 71.24 112.212 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.1 pp -66.1 -47.87 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 110.314 -0.254 . . . . 74.42 110.314 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.49 -32.98 74.88 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.522 . . . . 72.11 111.46 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.9 m -84.08 -4.0 58.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.921 -0.581 . . . . 50.41 111.647 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 22.3 t80 -94.62 60.18 2.54 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.491 0.663 . . . . 74.33 109.794 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.9 mttt -120.14 164.13 16.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.149 -0.932 . . . . 61.52 111.326 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 31.0 t -65.99 147.08 53.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.821 0.448 . . . . 74.45 111.873 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.88 -5.02 57.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.996 -0.547 . . . . 44.53 111.268 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.78 -40.93 3.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.836 -0.62 . . . . 62.42 111.672 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 m -105.77 -19.03 13.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.388 0.43 . . . . 72.25 111.906 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 69.41 2.51 3.75 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.073 0.949 . . . . 74.42 112.031 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -66.32 163.82 17.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.133 0.573 . . . . 63.34 111.231 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -94.81 152.41 18.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.291 -0.413 . . . . 71.44 111.374 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.55 145.4 29.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.514 -0.766 . . . . 74.55 111.139 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.7 t -120.77 159.43 25.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.259 -0.882 . . . . 65.21 110.989 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 88' ' ' VAL . 4.0 m -65.77 143.18 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.086 -0.506 . . . . 73.4 112.253 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -33.65 6.15 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 123.616 0.572 . . . . 64.22 113.197 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.02 148.64 22.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.316 0.246 . . . . 71.24 111.377 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.23 143.43 31.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.751 -0.659 . . . . 74.23 111.011 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -130.81 155.21 47.08 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.304 0.377 . . . . 65.34 111.713 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.4 tp -111.5 132.52 54.44 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.7 -0.682 . . . . 63.11 109.651 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -95.93 111.24 23.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.912 -0.585 . . . . 55.3 110.297 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.23 175.98 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.763 -0.653 . . . . 70.24 110.786 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -48.06 -35.09 10.57 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.797 1.036 . . . . 75.13 113.797 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.495 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.2 m -120.15 -56.13 2.02 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.867 0.692 . . . . 70.43 112.867 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.6 m-20 -120.23 -162.33 0.93 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.007 0.373 . . . . 75.52 112.007 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -109.93 143.36 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.932 0.493 . . . . 73.24 109.827 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 6.0 t -120.35 126.33 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 123.488 0.493 . . . . 72.23 110.024 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.3 158.59 25.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.107 -0.497 . . . . 72.41 112.175 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.59 -18.21 28.2 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.299 0.851 . . . . 74.23 113.299 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -65.74 -52.25 52.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.286 0.476 . . . . 75.13 112.286 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.66 15.34 22.05 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.049 0.388 . . . . 42.3 112.049 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.46 -47.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.123 0.569 . . . . 73.54 112.392 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.42 -51.67 58.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.921 0.488 . . . . 70.12 111.879 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.64 ' O ' HD12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -64.39 -45.05 89.32 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.615 0.598 . . . . 63.44 112.615 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 52.9 t-105 -60.94 -45.81 93.2 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.557 0.343 . . . . 73.13 111.807 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 p -67.03 -28.79 68.52 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 70.34 111.178 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.46 -43.5 94.05 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.058 -0.974 . . . . 73.44 111.985 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 67' ' ' GLU . 2.8 mp -84.86 -47.4 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.382 0.426 . . . . 74.41 111.834 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -74.68 -29.85 61.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.896 0.702 . . . . 73.23 112.896 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.602 0 C-N-CA 121.282 -0.485 . . . . 72.21 112.543 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.467 0.175 . . . . 73.24 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.54 143.62 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 115.893 -0.594 . . . . 64.22 109.886 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.1 mtt -120.11 152.79 37.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.944 -0.571 . . . . 73.44 111.621 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.74 152.81 3.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.603 -0.726 . . . . 61.23 110.411 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -65.33 112.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.264 -0.425 . . . . 74.03 110.907 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.86 144.18 46.3 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 115.596 -0.729 . . . . 65.22 113.789 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.05 114.57 17.14 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.947 0.499 . . . . 70.12 111.453 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.62 151.76 83.54 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.564 2.176 . . . . 72.51 112.95 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.5 p -120.04 118.27 30.18 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.98 -0.555 . . . . 74.13 111.245 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -65.89 146.77 54.34 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.853 -0.612 . . . . 74.54 111.598 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.495 ' N ' HD23 ' A' ' 93' ' ' LEU . 88.6 mtp -65.53 -44.45 86.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.116 -0.493 . . . . 54.23 112.259 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.47 ' H ' HD23 ' A' ' 93' ' ' LEU . . . 110.75 77.09 0.88 Allowed Glycine 0 C--N 1.34 0.751 0 O-C-N 123.453 0.471 . . . . 64.12 112.542 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.97 112.84 0.94 Allowed Glycine 0 C--N 1.338 0.668 0 C-N-CA 121.413 -0.423 . . . . 74.41 112.492 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.85 23.85 6.14 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.932 0.396 . . . . 65.14 111.35 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -101.05 98.4 8.85 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.884 -0.598 . . . . 72.24 110.834 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.93 76.55 0.11 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.43 -0.805 . . . . 61.51 112.525 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.26 10.53 15.98 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.71 0.29 . . . . 72.42 111.469 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 -41.32 13.19 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.072 -0.513 . . . . 62.44 111.784 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.57 -20.76 30.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.146 -0.479 . . . . 61.45 112.177 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -87.08 -25.12 24.33 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.97 0.359 . . . . 75.34 111.97 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.08 -14.58 27.11 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.182 0.438 . . . . 72.2 112.182 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.57 -66.46 0.91 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.084 0.24 . . . . 75.13 111.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.9 pp -150.38 136.11 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.445 0.298 . . . . 42.53 111.509 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -129.42 117.88 21.26 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.877 -0.601 . . . . 74.35 110.906 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -132.93 147.92 52.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.867 -0.606 . . . . 72.22 110.685 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 pp -130.54 140.61 50.48 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.816 -0.629 . . . . 63.32 110.987 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -128.48 146.62 50.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.051 -0.522 . . . . 74.13 110.962 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 62.87 125.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.935 0.894 . . . . 73.5 112.134 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -106.12 140.69 38.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.828 -0.623 . . . . 73.42 111.02 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -128.11 146.2 50.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.965 -0.561 . . . . 53.12 110.937 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.235 0.296 0 CA-C-N 115.808 -0.633 . . . . 72.15 110.996 179.888 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 111.265 0.098 . . . . 75.44 111.265 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 38.6 t -68.88 134.36 49.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.135 0.493 . . . . 74.54 112.307 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.02 -34.72 78.74 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.93 -1.032 . . . . 62.14 112.694 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 t -89.56 -53.72 4.4 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.351 0.407 . . . . 73.32 111.511 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.6 p -102.41 154.53 18.99 Favored 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.177 0.298 . . . . 65.02 110.66 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.38 52.21 2.3 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.356 0.598 . . . . 63.35 110.796 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -120.79 133.16 55.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.508 -0.769 . . . . 72.21 110.226 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -65.26 128.4 35.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.4 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 22' ' ' GLU . 11.3 mt -71.96 98.66 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.222 0.534 . . . . 73.32 109.861 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' TYR . 77.7 mtp180 -148.39 152.79 37.62 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.226 -0.897 . . . . 73.25 111.391 -178.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 46.64 -73.23 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.796 1.238 . . . . 73.32 113.964 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.513 ' HD1' ' O ' ' A' ' 21' ' ' TYR . 1.2 t80 -84.66 27.73 0.71 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.553 0.692 . . . . 62.12 111.183 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -64.87 -63.99 0.98 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.6 -0.727 . . . . 64.3 111.404 178.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.467 ' O ' HD11 ' A' ' 34' ' ' LEU . 62.9 mtt 36.85 46.89 0.52 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.467 1.107 . . . . 73.45 112.927 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 t -119.34 165.93 13.68 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.544 -0.753 . . . . 74.24 111.689 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.471 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -110.44 165.41 11.81 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.353 -0.839 . . . . 73.33 110.731 178.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -85.03 118.0 24.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.821 0.343 . . . . 74.14 111.577 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.707 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.4 t -94.85 -178.86 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.413 -0.812 . . . . 61.35 109.461 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.707 ' H ' HG12 ' A' ' 27' ' ' VAL . 62.1 mttm -44.85 -64.57 0.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.972 1.101 . . . . 71.52 113.972 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.44 -43.2 2.51 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.492 0.553 . . . . 64.13 112.492 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 68.1 mttt -117.47 156.23 28.35 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.248 0.342 . . . . 74.21 111.842 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 25' ' ' MET . 4.3 t -105.82 147.55 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.8 -0.636 . . . . 70.13 109.817 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -130.5 141.06 50.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.155 -0.475 . . . . 73.03 111.456 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.715 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.2 m80 -65.74 164.96 13.54 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.807 0.443 . . . . 71.24 110.837 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 23' ' ' MET . 4.7 mp -65.14 -49.73 68.74 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.705 0.288 . . . . 74.42 110.522 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.4 -26.0 67.04 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.675 -0.693 . . . . 72.11 111.513 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.715 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -90.12 -7.69 53.11 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.756 -0.656 . . . . 50.41 111.841 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -91.11 55.71 2.95 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.38 0.61 . . . . 74.33 110.674 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.11 160.41 23.76 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.308 -0.86 . . . . 61.52 111.669 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.4 t -66.26 146.96 54.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.905 -0.588 . . . . 74.45 111.555 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -5.78 38.47 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.041 -0.527 . . . . 44.53 111.974 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.29 -50.02 3.58 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.853 0.316 . . . . 62.42 111.853 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.6 p -108.48 -4.65 17.09 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.196 0.31 . . . . 72.25 111.663 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.538 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.4 mm-40 65.09 11.1 6.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.195 0.998 . . . . 74.42 113.069 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.56 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 33.9 tttp -66.07 161.72 21.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.607 0.363 . . . . 63.34 111.305 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -101.65 150.97 22.56 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.939 -0.573 . . . . 71.44 110.888 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -104.34 138.43 40.78 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.665 -0.698 . . . . 74.55 110.9 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -120.54 164.42 16.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.455 -0.793 . . . . 65.21 110.861 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.51 137.33 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.831 0.452 . . . . 73.4 112.125 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -29.42 10.26 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 115.847 -0.615 . . . . 64.22 113.066 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -93.05 152.13 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.412 0.285 . . . . 71.24 111.143 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 12.2 ptp180 -88.22 135.84 33.26 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.921 -0.581 . . . . 74.23 111.613 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -123.41 153.47 40.37 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.941 -0.572 . . . . 65.34 111.237 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 tt -116.05 126.89 54.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.579 -0.737 . . . . 63.11 109.747 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -88.82 113.31 24.24 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.893 -0.594 . . . . 55.3 110.884 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.38 176.23 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 115.712 -0.676 . . . . 70.24 110.666 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -47.87 -34.65 9.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.9 1.074 . . . . 75.13 113.9 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.501 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.6 m -120.1 -57.49 1.94 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.965 0.728 . . . . 70.43 112.965 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.4 m-20 -120.26 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.08 0.4 . . . . 75.52 112.08 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -106.23 137.1 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 122.856 0.463 . . . . 73.24 109.859 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 68' ' ' TRP . 15.8 t -120.83 126.73 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.099 -0.5 . . . . 72.23 110.417 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.19 160.14 22.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.851 -0.613 . . . . 72.41 111.858 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.648 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.6 tt0 -63.84 -19.86 65.36 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.66 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -67.1 -42.27 84.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.268 -0.424 . . . . 75.13 111.762 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.64 7.09 22.21 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.628 0.603 . . . . 42.3 112.628 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.43 -54.53 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.219 0.822 . . . . 73.54 113.219 -178.497 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.3 t80 -58.05 -53.68 55.54 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.728 0.64 . . . . 70.12 112.728 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.14 -39.87 93.61 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.698 0.629 . . . . 63.44 112.698 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.503 ' CD1' HG21 ' A' ' 60' ' ' VAL . 56.3 t-105 -65.38 -49.41 69.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.565 0.346 . . . . 73.13 111.444 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -64.13 -29.12 70.27 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.093 0.473 . . . . 70.34 111.08 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 45.2 tttt -65.11 -42.62 93.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.039 -0.982 . . . . 73.44 111.901 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.9 mm -84.64 -46.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 115.768 -0.651 . . . . 74.41 111.865 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.39 -29.99 53.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.76 0.652 . . . . 73.23 112.76 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.584 0 C-N-CA 121.365 -0.445 . . . . 72.21 112.624 -179.854 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.234 0.271 0 CA-C-O 120.542 0.21 . . . . 73.24 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -124.72 139.34 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 115.914 -0.585 . . . . 64.22 109.953 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.593 ' SD ' ' HE2' ' A' ' 28' ' ' LYS . 86.8 mtp -120.08 153.31 36.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.865 -0.607 . . . . 73.44 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -91.46 153.03 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.829 -0.623 . . . . 61.23 110.371 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.1 110.34 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 116.156 -0.474 . . . . 74.03 110.786 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.09 150.62 51.9 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 115.646 -0.706 . . . . 65.22 113.767 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.84 120.03 65.7 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.001 0.52 . . . . 70.12 111.664 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.426 ' HB3' ' O ' ' A' ' 23' ' ' MET . 14.7 Cg_exo -69.8 150.56 68.16 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 72.51 112.916 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.25 111.73 18.16 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.595 0.559 . . . . 74.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -66.03 125.17 24.61 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.871 -0.604 . . . . 74.54 112.08 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 64.5 mtt 40.73 -83.03 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.844 1.258 . . . . 54.23 113.87 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.35 -53.63 0.13 Allowed Glycine 0 C--N 1.343 0.933 0 C-N-CA 121.59 -0.338 . . . . 64.12 112.482 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.6 120.16 1.53 Allowed Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.544 -0.36 . . . . 74.41 112.456 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.76 149.86 24.61 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.617 0.245 . . . . 65.14 111.216 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -106.5 -43.63 4.7 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.87 -0.605 . . . . 72.24 111.194 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.03 -98.55 1.11 Allowed Glycine 0 C--N 1.341 0.83 0 O-C-N 123.402 0.439 . . . . 61.51 112.671 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 9.6 m-20 59.8 103.83 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.876 0.871 . . . . 72.42 111.812 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -88.23 -18.96 27.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.483 -0.781 . . . . 62.44 112.163 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.54 -21.79 30.35 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.299 0.481 . . . . 61.45 112.299 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.2 -35.23 18.68 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.013 0.375 . . . . 75.34 112.013 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.0 ptm180 -86.45 -10.54 53.99 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.508 0.559 . . . . 72.2 112.508 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 1.6 tt -95.6 -46.49 6.62 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.085 0.241 . . . . 75.13 111.109 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.9 pp -143.41 130.63 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.295 0.372 . . . . 42.53 111.348 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.2 t -146.49 127.11 14.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.834 -0.621 . . . . 74.35 110.923 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -131.88 124.35 29.34 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.833 -0.621 . . . . 72.22 110.847 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.98 151.38 51.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.76 -0.654 . . . . 63.32 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -97.76 139.45 33.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.861 -0.609 . . . . 74.13 110.852 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 45.35 104.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.769 1.228 . . . . 73.5 113.33 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -114.07 153.5 29.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.643 -0.708 . . . . 73.42 111.238 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 63.13 126.28 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.965 0.906 . . . . 53.12 112.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--O 1.235 0.318 0 CA-C-N 115.721 -0.672 . . . . 72.15 110.424 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 16' ' ' LYS . 2.5 mp . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 111.985 0.365 . . . . 75.44 111.985 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 49.6 t -76.17 119.1 19.62 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 121.054 0.454 . . . . 74.54 110.424 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.585 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.67 -15.85 63.18 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.543 0.942 . . . . 62.14 113.543 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -97.62 -39.02 9.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.989 0.366 . . . . 73.32 111.989 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.3 m -92.8 -23.79 18.74 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.254 0.465 . . . . 65.02 112.254 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.78 30.24 16.71 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.574 0.702 . . . . 63.35 110.079 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' C ' HD23 ' A' ' 10' ' ' LEU . 68.6 mmtt -113.05 153.43 28.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.859 -1.064 . . . . 72.21 110.802 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -65.51 115.23 5.52 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.886 -0.597 . . . . 73.24 111.077 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.2 mt -74.43 97.32 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.261 -0.644 . . . . 73.32 109.261 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -148.34 179.8 7.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.85 -1.068 . . . . 73.25 111.844 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 53.25 -80.72 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.844 1.258 . . . . 73.32 113.874 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.0 t80 -75.98 -56.14 4.94 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 122.499 0.32 . . . . 62.12 110.683 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 28.66 -83.21 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.179 1.392 . . . . 64.3 114.741 179.133 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.9 mtt 49.11 48.92 20.34 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.018 0.927 . . . . 73.45 111.747 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.486 HG21 ' O ' ' A' ' 32' ' ' TYR . 21.6 p -126.02 164.0 21.8 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.485 -0.779 . . . . 74.24 112.297 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -96.83 169.15 10.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.388 -0.824 . . . . 73.33 110.616 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -87.98 120.08 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.76 0.315 . . . . 74.14 111.192 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.64 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.7 t -93.45 -179.26 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.692 -0.685 . . . . 61.35 109.542 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.64 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.0 mttt -53.74 -69.95 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.042 0.756 . . . . 71.52 113.042 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.65 -40.78 2.62 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.091 0.404 . . . . 64.13 112.091 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.8 mttt -107.15 136.6 46.72 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.409 0.443 . . . . 74.21 111.994 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 17.3 t -104.46 144.42 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.97 -0.752 . . . . 70.13 108.97 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 23.6 m-85 -132.82 151.47 52.01 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.236 -0.438 . . . . 73.03 111.15 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.886 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 47.1 m80 -65.49 161.33 20.29 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.674 0.39 . . . . 71.24 110.464 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -61.56 -45.23 95.03 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 111.563 0.208 . . . . 74.42 111.563 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.25 -21.75 66.3 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.284 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.886 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 5.5 m -91.8 -6.34 51.91 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.626 -0.715 . . . . 50.41 111.691 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.85 55.56 2.43 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.478 0.656 . . . . 74.33 110.071 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -120.85 160.66 22.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.165 -0.925 . . . . 61.52 111.627 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 38.1 t -66.11 147.08 53.88 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.194 0.598 . . . . 74.45 111.688 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.75 -7.98 32.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.018 -0.537 . . . . 44.53 111.941 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.98 -48.62 4.6 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.958 0.355 . . . . 62.42 111.958 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 24.5 p -113.39 -2.58 13.93 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.187 0.304 . . . . 72.25 111.809 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.552 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.3 mm-40 64.86 12.82 8.07 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.098 0.959 . . . . 74.42 113.095 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.8 tttt -65.99 162.54 19.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.593 0.357 . . . . 63.34 111.378 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.9 152.74 19.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.988 -0.551 . . . . 71.44 111.104 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -105.15 143.24 33.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.723 -0.671 . . . . 74.55 111.073 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 m -120.76 160.47 23.29 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.396 -0.82 . . . . 65.21 111.259 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.8 133.69 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 116.053 -0.521 . . . . 73.4 112.339 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.06 -23.05 26.29 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.997 -0.547 . . . . 64.22 113.515 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -94.26 150.66 20.09 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.761 0.281 . . . . 71.24 111.346 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.67 139.43 31.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.853 -0.612 . . . . 74.23 110.917 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -132.36 156.28 46.9 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.421 0.451 . . . . 65.34 111.795 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.62 127.45 55.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.572 -0.74 . . . . 63.11 109.418 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.76 114.83 27.48 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.981 -0.554 . . . . 55.3 110.543 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -90.44 176.22 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.691 -0.686 . . . . 70.24 110.73 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -47.96 -34.53 9.33 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.813 1.042 . . . . 75.13 113.813 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.479 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.0 m -120.11 -56.62 1.99 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.916 0.71 . . . . 70.43 112.916 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.2 m-20 -120.28 -163.49 1.01 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.058 0.392 . . . . 75.52 112.058 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.1 mp -109.93 143.79 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 122.723 0.409 . . . . 73.24 110.097 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 68' ' ' TRP . 11.0 t -120.2 128.92 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.926 -0.579 . . . . 72.23 109.903 179.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.19 159.44 23.59 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.917 -0.583 . . . . 72.41 112.222 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.5 mt-10 -60.57 -22.8 64.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.005 -0.543 . . . . 74.23 111.746 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.05 -41.48 86.43 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.209 -0.45 . . . . 75.13 111.766 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -110.36 5.53 21.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.484 0.549 . . . . 42.3 112.484 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.72 -52.69 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 113.225 0.824 . . . . 73.54 113.225 -178.294 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 59.9 t80 -62.05 -52.26 64.66 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.599 0.592 . . . . 70.12 112.599 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.566 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.11 -40.08 94.02 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.868 0.692 . . . . 63.44 112.868 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.535 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.5 t-105 -65.44 -52.41 53.36 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.572 0.349 . . . . 73.13 111.452 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 p -61.53 -29.16 69.82 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.147 0.499 . . . . 70.34 111.292 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 7.1 tptp -65.08 -39.3 93.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.213 -0.903 . . . . 73.44 112.489 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.8 mm -84.5 -47.58 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 74.41 113.144 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -97.81 -30.13 12.95 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.548 0.944 . . . . 73.23 113.548 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.547 0 C-N-CA 121.061 -0.59 . . . . 72.21 112.933 -179.589 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.66 0.267 . . . . 73.24 110.789 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -128.48 150.66 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.813 -0.631 . . . . 64.22 109.937 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.6 mmt -116.15 146.1 42.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 73.44 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.62 147.92 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.812 -0.631 . . . . 61.23 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.6 t -65.51 111.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 116.113 -0.494 . . . . 74.03 110.917 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.94 156.96 49.17 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.786 -0.643 . . . . 65.22 113.582 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.81 137.62 96.21 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-O 119.099 -0.477 . . . . 70.12 111.577 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.68 153.87 43.78 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.45 2.1 . . . . 72.51 112.776 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 p -115.13 124.62 51.96 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.858 -0.61 . . . . 74.13 110.884 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.61 123.9 20.93 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.972 -0.558 . . . . 74.54 111.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -43.41 88.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.893 -0.594 . . . . 54.23 111.855 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.14 -91.96 0.09 OUTLIER Glycine 0 C--N 1.34 0.791 0 O-C-N 123.469 0.481 . . . . 64.12 112.466 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.24 -146.98 6.56 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.417 -0.42 . . . . 74.41 112.555 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.76 152.08 20.92 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.338 0.255 . . . . 65.14 110.94 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.85 -43.6 7.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.895 -0.593 . . . . 72.24 111.281 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.23 -136.35 12.56 Favored Glycine 0 C--N 1.34 0.759 0 O-C-N 123.347 0.404 . . . . 61.51 112.708 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.5 m-20 -142.55 94.05 2.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.214 0.531 . . . . 72.42 110.168 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.4 ' HG2' HH21 ' A' ' 104' ' ' ARG . 42.9 mt-10 -83.44 -18.71 37.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.226 -0.897 . . . . 62.44 112.221 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -83.1 -22.3 33.45 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.131 0.419 . . . . 61.45 112.131 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -87.2 -37.84 16.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.475 0.31 . . . . 75.34 111.763 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 38.0 ptt180 -87.04 13.47 9.2 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.08 0.4 . . . . 72.2 112.08 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -82.02 -39.35 23.66 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.212 -0.449 . . . . 75.13 111.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -96.41 113.88 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.416 0.447 . . . . 42.53 111.254 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -140.5 152.3 45.49 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.877 -0.601 . . . . 74.35 111.172 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -108.13 146.47 32.63 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.814 -0.63 . . . . 72.22 110.511 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.17 141.24 35.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.984 -0.553 . . . . 63.32 110.915 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -116.81 149.79 39.41 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.887 -0.597 . . . . 74.13 110.806 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.04 130.81 47.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.904 -0.589 . . . . 73.5 110.807 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -106.09 146.51 30.07 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.864 -0.607 . . . . 73.42 111.175 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -106.06 147.37 29.0 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 53.12 110.828 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 72.15 110.607 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.509 0.195 . . . . 74.15 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.35 133.99 43.95 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.895 -0.593 . . . . 73.21 110.797 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -65.79 150.81 47.94 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.939 -0.573 . . . . 71.34 112.258 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mp -128.63 151.17 49.8 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.877 -0.601 . . . . 73.23 110.841 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -99.31 128.28 45.41 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.889 -0.596 . . . . 72.22 110.839 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.58 -140.69 15.03 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.866 -0.606 . . . . 72.24 112.512 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 37.9 mt-30 -115.25 156.47 25.33 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.811 0.339 . . . . 74.33 111.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -98.15 -12.59 21.58 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.505 -0.771 . . . . 71.04 111.6 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.519 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -92.95 80.6 1.1 Allowed Glycine 0 C--N 1.341 0.853 0 C-N-CA 121.387 -0.435 . . . . 63.22 113.028 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mp -73.89 158.79 33.83 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.934 0.494 . . . . 75.44 111.466 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 47.6 t -80.98 105.42 12.19 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 121.352 0.596 . . . . 74.54 110.705 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.95 -8.27 21.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.118 . . . . 62.14 114.02 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.1 t -91.71 -50.87 5.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.754 0.279 . . . . 73.32 111.754 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 p -101.41 -2.5 30.71 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.823 0.305 . . . . 65.02 111.823 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 55.66 44.57 26.23 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.909 0.883 . . . . 63.35 111.867 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.32 149.53 42.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.5 -0.773 . . . . 72.21 110.156 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -65.39 124.9 23.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.701 -0.681 . . . . 73.24 112.015 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.526 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 30.8 mt -87.72 98.37 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.919 -0.771 . . . . 73.32 108.919 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.4 tmt_? -147.84 159.72 43.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.415 -0.811 . . . . 73.25 111.951 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.34 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.978 1.311 . . . . 73.32 114.36 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.496 ' O ' ' HG3' ' A' ' 23' ' ' MET . 11.9 t80 -68.94 -63.42 1.06 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.566 0.347 . . . . 62.12 111.359 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 34.28 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.9 1.28 . . . . 64.3 114.271 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.576 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 66.0 mtt 50.81 55.82 8.95 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.93 0.892 . . . . 73.45 111.557 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 32' ' ' TYR . 24.5 p -132.74 165.51 24.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.209 -0.905 . . . . 74.24 112.065 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.512 ' SD ' ' HA3' ' A' ' 89' ' ' GLY . 21.1 ttp -93.45 160.06 14.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.409 -0.814 . . . . 73.33 110.054 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' N ' ' HG2' ' A' ' 25' ' ' MET . 38.5 ttt180 -84.71 115.62 22.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.192 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -87.51 -179.22 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 115.71 -0.677 . . . . 61.35 110.293 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.621 ' H ' HG12 ' A' ' 27' ' ' VAL . 65.7 mttm -51.19 -67.38 0.26 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.475 0.917 . . . . 71.52 113.475 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -120.53 -42.87 2.52 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.121 0.415 . . . . 64.13 112.121 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 72.1 mttt -108.14 144.62 35.29 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.259 0.35 . . . . 74.21 111.896 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 4.9 t -105.47 143.19 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.646 -0.706 . . . . 70.13 109.195 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 33.1 m-85 -134.23 152.16 51.68 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.337 0.398 . . . . 73.03 111.458 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.739 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 38.1 m80 -65.65 159.72 24.24 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.132 0.573 . . . . 71.24 111.436 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.39 -44.32 87.91 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.135 0.272 . . . . 74.42 110.802 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.11 -28.04 68.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.872 -0.604 . . . . 72.11 111.024 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -88.05 -3.26 58.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.463 -0.79 . . . . 50.41 111.424 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -85.85 62.1 7.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.475 0.655 . . . . 74.33 110.066 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.4 mttt -120.26 162.9 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.228 -0.896 . . . . 61.52 111.496 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 8.9 t -66.16 147.5 53.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.918 -0.583 . . . . 74.45 111.978 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 58' ' ' ASP . . . -82.9 -18.63 39.51 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.544 0.572 . . . . 44.53 112.544 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -108.13 -43.75 4.32 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.19 0.441 . . . . 62.42 112.19 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -95.39 -19.99 19.47 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.331 0.394 . . . . 72.25 111.89 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 67.36 2.0 2.69 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.054 0.941 . . . . 74.42 112.357 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -66.16 162.98 18.63 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.223 0.609 . . . . 63.34 111.494 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -97.51 148.3 23.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.04 -0.527 . . . . 71.44 111.119 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -98.7 153.11 18.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.695 -0.684 . . . . 74.55 110.814 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.6 p -120.55 157.64 29.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.438 -0.801 . . . . 65.21 111.199 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.63 132.58 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.045 -0.525 . . . . 73.4 112.004 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -16.02 36.49 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.583 0.552 . . . . 64.22 113.205 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.62 150.67 21.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.336 0.255 . . . . 71.24 110.946 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.16 131.84 34.56 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -121.41 154.73 36.13 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.504 0.503 . . . . 65.34 111.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.61 126.34 51.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.583 -0.735 . . . . 63.11 109.594 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 tt -87.63 113.42 23.3 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.856 -0.611 . . . . 55.3 110.726 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -90.5 176.32 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.427 -0.806 . . . . 70.24 110.755 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -47.94 -35.68 11.12 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.795 1.035 . . . . 75.13 113.795 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.507 ' H ' HG23 ' A' ' 55' ' ' ILE . 54.0 p -109.3 -69.84 0.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.284 0.476 . . . . 70.43 112.284 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.9 m-20 -120.37 -161.12 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.242 0.217 . . . . 75.52 111.403 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -92.16 138.68 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.605 0.362 . . . . 73.24 110.266 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.535 HG13 ' OD2' ' A' ' 64' ' ' ASP . 88.5 t -120.52 116.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.864 -0.607 . . . . 72.23 110.377 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 p -66.26 158.72 28.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.31 -0.404 . . . . 72.41 111.912 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.593 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.83 -17.96 28.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.419 0.896 . . . . 74.23 113.419 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -65.86 -45.09 83.43 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.793 0.664 . . . . 75.13 112.793 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.535 ' OD2' HG13 ' A' ' 60' ' ' VAL . 10.9 p-10 -110.83 5.12 20.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.03 0.752 . . . . 42.3 113.03 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -53.7 -49.94 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 113.028 0.751 . . . . 73.54 113.028 -178.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.531 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 54.5 t80 -61.61 -53.81 51.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.062 0.393 . . . . 70.12 112.062 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.7 mt-10 -65.39 -38.05 88.84 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.013 0.746 . . . . 63.44 113.013 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.515 ' HE1' HG12 ' A' ' 55' ' ' ILE . 56.1 t-105 -65.35 -53.41 43.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.727 0.411 . . . . 73.13 111.711 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -64.69 -29.6 70.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.765 0.426 . . . . 70.34 111.722 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 36.4 tttp -65.39 -37.43 86.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.368 -0.833 . . . . 73.44 112.684 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 67' ' ' GLU . 30.0 mm -83.97 -47.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.492 0.553 . . . . 74.41 112.492 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -94.76 5.42 51.93 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.912 0.708 . . . . 73.23 112.912 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.09 -98.43 1.6 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.2 -0.524 . . . . 72.21 112.503 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.6 -126.36 7.1 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 121.419 -0.419 . . . . 61.03 112.506 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.6 m -128.36 145.05 51.19 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.674 0.279 . . . . 52.4 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 154.15 113.25 0.49 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.819 -0.628 . . . . 63.22 112.462 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.45 75.02 0.21 Allowed Glycine 0 C--N 1.337 0.613 0 C-N-CA 121.45 -0.405 . . . . 75.05 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -127.8 131.64 49.56 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.611 0.242 . . . . 62.24 110.959 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.14 -132.76 4.64 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.865 -0.607 . . . . 42.13 112.508 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -150.59 78.14 0.22 Allowed Glycine 0 C--N 1.336 0.562 0 C-N-CA 121.455 -0.403 . . . . 70.3 112.526 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.5 m 62.75 125.9 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.946 0.898 . . . . 75.44 112.088 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.82 110.47 0.44 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.791 -0.64 . . . . 73.23 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 171.11 54.19 0.04 OUTLIER Glycine 0 C--N 1.336 0.568 0 C-N-CA 121.479 -0.391 . . . . 72.21 112.567 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.39 146.24 51.28 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.628 0.252 . . . . 73.24 110.83 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.64 145.83 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 115.93 -0.577 . . . . 64.22 109.922 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -119.57 147.93 43.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.698 -0.683 . . . . 73.44 111.213 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.85 145.17 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 115.741 -0.663 . . . . 61.23 110.318 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.55 109.31 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-O 120.946 0.403 . . . . 74.03 111.196 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.512 ' HA3' ' SD ' ' A' ' 25' ' ' MET . . . -67.39 150.13 51.41 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.421 -0.809 . . . . 65.22 113.666 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.2 155.73 86.82 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.117 -0.468 . . . . 70.12 111.148 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.0 Cg_endo -81.56 133.88 8.5 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.337 2.025 . . . . 72.51 112.708 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -115.44 117.73 31.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.972 -0.558 . . . . 74.13 111.04 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -65.89 126.54 28.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.771 -0.65 . . . . 74.54 112.184 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 20.5 mmt -65.94 -17.77 64.89 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.843 0.683 . . . . 54.23 112.843 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.43 77.62 2.0 Allowed Glycine 0 C--N 1.342 0.895 0 O-C-N 123.318 0.387 . . . . 64.12 112.967 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.32 111.04 0.49 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.609 -0.329 . . . . 74.41 112.318 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.52 124.18 43.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.664 0.268 . . . . 65.14 111.017 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -124.99 82.97 2.11 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 115.71 -0.677 . . . . 72.24 110.522 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.21 164.15 25.91 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.08 -0.964 . . . . 61.51 112.543 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -128.86 82.66 2.1 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.306 0.574 . . . . 72.42 110.939 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -88.39 -18.88 27.43 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.35 -0.841 . . . . 62.44 112.098 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.78 -31.79 25.72 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.15 0.426 . . . . 61.45 112.15 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.26 -8.78 58.93 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.003 0.371 . . . . 75.34 112.003 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -92.43 -28.88 16.58 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.38 -0.373 . . . . 72.2 111.546 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.72 -42.85 8.93 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.328 0.392 . . . . 75.13 111.031 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.414 ' O ' HD12 ' A' ' 106' ' ' ILE . 2.1 pp -130.94 135.59 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.317 -0.401 . . . . 42.53 111.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.6 p -99.3 115.96 30.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.957 -0.565 . . . . 74.35 111.216 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.26 144.13 42.56 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.725 -0.671 . . . . 72.22 110.6 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.65 140.4 34.98 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.989 -0.55 . . . . 63.32 110.956 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -137.84 146.94 44.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.8 -0.636 . . . . 74.13 110.806 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -109.31 124.72 51.41 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.896 -0.593 . . . . 73.5 110.77 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -120.11 146.44 45.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.902 -0.59 . . . . 73.42 111.153 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -128.71 126.56 40.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.819 -0.628 . . . . 53.12 110.404 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -128.75 140.75 51.57 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.891 -0.595 . . . . 72.15 110.522 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -107.27 130.15 54.79 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.874 -0.603 . . . . 75.03 110.891 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -114.33 143.02 45.56 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.882 -0.599 . . . . 71.34 111.074 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.08 -41.68 7.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.838 -0.619 . . . . 72.43 111.455 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 63.25 126.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.02 0.928 . . . . 73.4 112.021 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.19 135.62 1.87 Allowed Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.808 -0.633 . . . . 71.42 112.494 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -107.84 154.23 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 O-C-N 123.658 0.269 . . . . 71.42 111.358 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.05 140.01 33.84 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.801 -0.636 . . . . 74.34 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -121.55 -42.18 2.45 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.858 -0.61 . . . . 75.0 111.252 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.091 -0.957 . . . . 75.3 110.521 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.512 0.196 . . . . 74.15 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.66 128.85 54.92 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.923 -0.58 . . . . 73.21 110.823 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -65.77 131.49 46.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 115.861 -0.609 . . . . 71.34 112.124 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.6 mt -128.53 -44.66 1.36 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.805 -0.634 . . . . 73.23 111.044 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -132.47 128.9 38.4 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 123.385 0.428 . . . . 72.22 110.746 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.69 175.47 30.97 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.923 -0.581 . . . . 72.24 112.659 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.569 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -112.12 152.7 27.98 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.844 0.354 . . . . 74.33 111.37 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.68 -11.34 20.98 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.399 -0.819 . . . . 71.04 111.165 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.44 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -92.36 83.45 1.16 Allowed Glycine 0 C--N 1.34 0.797 0 O-C-N 123.518 0.511 . . . . 63.22 112.93 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp -71.92 158.67 35.6 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.085 0.554 . . . . 75.44 111.448 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.24 110.35 16.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.293 0.568 . . . . 74.54 111.352 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.24 -9.87 36.51 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.843 1.053 . . . . 62.14 113.843 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 t -91.79 -53.86 4.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.988 0.366 . . . . 73.32 111.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.7 p -98.1 -2.49 39.96 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.965 0.357 . . . . 65.02 111.965 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 54.52 43.35 30.44 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.834 0.854 . . . . 63.35 111.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -120.26 151.05 39.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.448 -0.796 . . . . 72.21 110.547 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -65.61 120.98 13.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.815 -0.629 . . . . 73.24 112.011 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 25.7 mt -80.46 98.41 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 115.88 -0.6 . . . . 73.32 109.587 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.456 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 98.9 mtt180 -147.67 172.63 13.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.488 -0.778 . . . . 73.25 112.019 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.48 -80.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.878 1.271 . . . . 73.32 114.107 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.489 ' O ' ' HG3' ' A' ' 23' ' ' MET . 16.2 t80 -75.6 -54.16 7.43 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.616 0.366 . . . . 62.12 111.044 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 23' ' ' MET . 0.0 OUTLIER 34.01 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.016 1.326 . . . . 64.3 114.419 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 66.5 mtt 51.29 46.52 26.35 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.706 0.802 . . . . 73.45 111.233 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -104.41 159.5 15.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.042 -0.981 . . . . 74.24 112.147 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.55 171.51 7.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.24 -0.891 . . . . 73.33 110.512 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.79 113.03 23.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.884 0.373 . . . . 74.14 111.077 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -97.06 -179.2 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.638 -0.71 . . . . 61.35 109.658 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.641 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.4 mttt -54.37 -69.98 0.11 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.0 0.741 . . . . 71.52 113.0 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -43.3 2.51 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.96 0.355 . . . . 64.13 111.96 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.2 mttt -110.39 141.24 43.72 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.407 0.442 . . . . 74.21 111.47 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 t -101.05 142.54 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.254 -0.647 . . . . 70.13 109.254 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 24.1 m-85 -127.41 150.73 49.5 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.16 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.699 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.6 m80 -65.09 157.84 27.47 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.497 0.498 . . . . 71.24 111.321 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.4 pp -65.29 -45.5 84.16 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.16 0.288 . . . . 74.42 110.641 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 43.5 mt-10 -66.28 -30.21 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.783 -0.644 . . . . 72.11 111.238 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.699 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 33.8 m -84.97 -3.52 58.79 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.65 -0.705 . . . . 50.41 111.662 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -88.89 63.05 6.63 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.554 0.692 . . . . 74.33 110.239 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.57 ' HE2' ' CE1' ' A' ' 45' ' ' HIS . 98.1 mttt -120.43 160.59 22.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.18 -0.918 . . . . 61.52 111.325 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 42.0 t -66.06 146.88 54.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.003 -0.544 . . . . 74.45 111.672 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.1 -3.29 57.24 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.847 -0.615 . . . . 44.53 112.13 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.09 -48.06 3.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.143 0.423 . . . . 62.42 112.143 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 23.3 p -113.71 -3.46 13.54 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.096 0.406 . . . . 72.25 112.096 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 16.3 mm-40 63.44 15.77 9.03 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.942 0.897 . . . . 74.42 113.014 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.2 tttm -65.74 163.97 15.53 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.691 0.396 . . . . 63.34 111.548 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.57 ' CE1' ' HE2' ' A' ' 38' ' ' LYS . 41.6 m-70 -94.08 154.79 17.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.962 -0.563 . . . . 71.44 111.171 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -113.21 142.22 46.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.724 -0.671 . . . . 74.55 110.663 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 p -120.82 159.02 26.32 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.423 -0.808 . . . . 65.21 111.329 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.81 136.29 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 116.014 -0.539 . . . . 73.4 112.103 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.96 -22.49 27.55 Favored Glycine 0 C--N 1.338 0.66 0 CA-C-N 115.93 -0.577 . . . . 64.22 113.21 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.63 151.97 19.54 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.591 0.234 . . . . 71.24 111.175 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -85.45 138.52 32.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.811 -0.631 . . . . 74.23 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.05 154.92 45.12 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.373 0.42 . . . . 65.34 111.527 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tp -109.19 129.92 55.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 63.11 110.015 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -97.59 106.05 18.3 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.811 -0.631 . . . . 55.3 109.992 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -92.92 175.73 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 115.804 -0.635 . . . . 70.24 110.994 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -48.83 -35.93 15.67 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.82 1.044 . . . . 75.13 113.82 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.529 ' H ' HG23 ' A' ' 55' ' ' ILE . 17.2 t -107.66 -73.85 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.341 0.497 . . . . 70.43 112.341 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.4 m-20 -120.35 -166.94 1.37 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.871 0.322 . . . . 75.52 111.871 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -93.72 143.27 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 122.851 0.46 . . . . 73.24 110.192 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.0 t -120.4 127.52 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 116.003 -0.544 . . . . 72.23 110.162 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.34 157.53 28.92 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.168 0.587 . . . . 72.41 112.257 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.668 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -60.28 -22.55 63.27 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.945 -0.57 . . . . 74.23 111.886 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -67.06 -40.59 87.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.257 -0.428 . . . . 75.13 111.613 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -110.33 5.37 21.55 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.694 0.627 . . . . 42.3 112.694 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.42 -52.64 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 113.058 0.762 . . . . 73.54 113.058 -178.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.2 t80 -61.6 -52.34 64.78 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.522 0.564 . . . . 70.12 112.522 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.569 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.11 -39.81 93.62 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.867 0.692 . . . . 63.44 112.867 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 59.9 t-105 -65.4 -54.45 28.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.635 0.374 . . . . 73.13 111.652 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -60.24 -29.49 68.79 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.042 0.449 . . . . 70.34 111.442 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.8 tttm -65.16 -37.59 87.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.138 -0.937 . . . . 73.44 112.632 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.4 mm -84.05 -47.43 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.525 . . . . 74.41 112.419 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -93.17 5.38 51.72 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.701 0.63 . . . . 73.23 112.701 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.7 -94.89 0.91 Allowed Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.162 -0.542 . . . . 72.21 112.411 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.09 -147.9 17.81 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.474 -0.393 . . . . 61.03 112.564 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.3 p -127.52 145.83 50.71 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.642 0.26 . . . . 52.4 110.969 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.95 -85.41 0.53 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 115.867 -0.606 . . . . 63.22 112.514 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.34 -122.26 0.6 Allowed Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.409 -0.424 . . . . 75.05 112.459 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -99.6 -42.12 7.03 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.275 0.23 . . . . 62.24 111.271 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -127.97 77.92 0.39 Allowed Glycine 0 C--N 1.34 0.757 0 O-C-N 123.491 0.494 . . . . 42.13 112.51 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.21 -97.99 0.44 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.457 -0.402 . . . . 70.3 112.456 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.6 m -100.89 130.82 46.95 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.637 0.257 . . . . 75.44 110.913 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.7 -143.87 3.84 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.821 -0.627 . . . . 73.23 112.512 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 142.67 151.82 5.57 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 121.487 -0.387 . . . . 72.21 112.585 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.77 147.48 25.42 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.286 0.234 . . . . 73.24 110.88 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.95 129.0 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.943 -0.571 . . . . 64.22 110.094 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.1 mtt -120.23 160.96 21.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.605 -0.725 . . . . 73.44 111.367 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.46 148.89 4.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.823 -0.626 . . . . 61.23 110.418 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.42 110.11 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 116.303 -0.408 . . . . 74.03 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.64 151.1 52.25 Favored Glycine 0 C--N 1.342 0.869 0 CA-C-N 115.494 -0.775 . . . . 65.22 113.431 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.22 148.77 98.33 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-O 118.984 -0.532 . . . . 70.12 111.366 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 23' ' ' MET . 4.4 Cg_exo -79.63 155.3 24.16 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.368 2.045 . . . . 72.51 112.676 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -119.25 116.65 26.69 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.577 0.548 . . . . 74.13 111.143 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.89 127.31 31.53 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.844 -0.617 . . . . 74.54 111.526 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.0 mmt 40.97 -82.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.918 1.287 . . . . 54.23 113.719 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.58 -76.39 1.15 Allowed Glycine 0 C--N 1.343 0.92 0 C-N-CA 121.438 -0.41 . . . . 64.12 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.39 154.41 14.2 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.461 -0.4 . . . . 74.41 112.513 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 60.68 149.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.166 0.987 . . . . 65.14 112.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -97.91 -41.78 7.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.709 -0.678 . . . . 72.24 111.244 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.87 121.61 0.77 Allowed Glycine 0 C--N 1.34 0.791 0 O-C-N 123.392 0.432 . . . . 61.51 112.38 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -137.25 88.76 2.37 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.372 0.606 . . . . 72.42 110.57 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 11.8 tt0 -88.18 -18.94 27.63 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.219 -0.901 . . . . 62.44 111.671 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -84.53 -17.02 40.26 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.449 0.537 . . . . 61.45 112.449 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.12 -38.88 16.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.045 0.387 . . . . 75.34 112.045 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.422 HH21 ' HG3' ' A' ' 101' ' ' GLU . 7.7 ppt_? -88.27 2.86 51.47 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.24 0.459 . . . . 72.2 112.24 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 4.8 tp -95.54 -40.77 9.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.362 -0.381 . . . . 75.13 111.187 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 pp -97.77 152.95 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.386 0.429 . . . . 42.53 111.53 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -116.46 -27.05 6.88 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.745 -0.661 . . . . 74.35 111.701 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 64.59 128.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.013 0.925 . . . . 72.22 112.029 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -129.28 153.51 47.73 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.669 -0.696 . . . . 63.32 110.822 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.19 149.2 21.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.964 -0.562 . . . . 74.13 111.132 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.37 -34.59 10.24 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.811 -0.631 . . . . 73.5 111.18 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.4 p 41.49 109.04 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.767 1.227 . . . . 73.42 113.887 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 64.41 131.95 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.037 0.935 . . . . 53.12 112.123 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -99.87 155.69 17.53 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.662 -0.699 . . . . 72.15 110.933 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.81 153.97 19.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.996 -0.547 . . . . 75.03 111.357 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.1 123.69 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.913 0.885 . . . . 71.34 112.21 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.57 -41.06 6.39 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.824 -0.626 . . . . 72.43 111.572 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -97.18 145.12 26.34 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.429 0.456 . . . . 73.4 110.958 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 125.79 102.72 1.34 Allowed Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.754 -0.657 . . . . 71.42 112.426 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.493 HD13 ' H ' ' A' ' 120' ' ' ILE . 0.2 OUTLIER -120.04 124.48 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 123.622 0.248 . . . . 71.42 111.268 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -110.8 134.66 52.32 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.902 -0.59 . . . . 74.34 110.836 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -128.5 140.59 51.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.974 -0.557 . . . . 75.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.488 -0.768 . . . . 75.3 110.827 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.564 0.221 . . . . 74.15 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.77 -43.01 2.8 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.881 -0.6 . . . . 73.21 111.147 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.66 149.24 50.42 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.958 0.503 . . . . 71.34 111.959 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 mt -127.33 143.43 51.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.787 -0.642 . . . . 73.23 110.736 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -128.29 141.92 51.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.94 -0.573 . . . . 72.22 110.966 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.01 147.41 17.82 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.811 -0.631 . . . . 72.24 112.343 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 41.5 mt-30 -107.91 149.78 27.89 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.687 0.279 . . . . 74.33 111.291 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -96.41 -13.74 22.96 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.599 -0.728 . . . . 71.04 111.38 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.469 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -99.6 88.99 0.84 Allowed Glycine 0 C--N 1.339 0.75 0 N-CA-C 112.064 -0.415 . . . . 63.22 112.064 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -86.17 159.12 19.59 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.865 0.466 . . . . 75.44 111.683 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.2 120.92 7.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.457 0.703 . . . . 74.54 112.805 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.9 66.45 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.322 1.23 . . . . 62.14 114.322 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -89.08 -53.91 4.36 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.348 0.87 . . . . 73.32 113.348 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 p -97.95 6.35 47.8 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.447 0.536 . . . . 65.02 112.447 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.09 51.88 5.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.305 1.042 . . . . 63.35 112.918 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 55.1 mmtt -120.02 144.78 47.35 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.391 -0.822 . . . . 72.21 110.571 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -56.97 123.81 16.47 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.882 0.697 . . . . 73.24 112.882 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 16.4 mt -84.17 135.12 25.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.549 -0.75 . . . . 73.32 110.036 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' H ' ' CG ' ' A' ' 22' ' ' GLU . 99.2 mtt180 -139.03 -173.74 3.66 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.035 0.534 . . . . 73.25 112.288 -177.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.587 ' O ' ' HB3' ' A' ' 93' ' ' LEU . . . -67.61 3.12 1.49 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 114.693 1.368 . . . . 73.32 114.693 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 94' ' ' MET . 1.8 t80 -117.67 -33.44 4.54 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.591 0.71 . . . . 62.12 109.187 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 5.6 mm-40 -56.09 -21.49 22.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 115.393 1.627 . . . . 64.3 115.393 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' ' HB ' ' A' ' 92' ' ' THR . 32.0 mtt 63.63 135.44 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 118.545 0.612 . . . . 73.45 110.895 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.73 ' H ' ' HA ' ' A' ' 92' ' ' THR . 3.9 p -151.5 127.11 10.13 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.34 0.867 . . . . 74.24 113.34 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.578 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -120.31 147.04 45.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.281 178.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.815 ' H ' ' H ' ' A' ' 90' ' ' GLU . 21.1 ttt180 -74.07 110.39 8.32 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.168 0.508 . . . . 74.14 111.888 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.1 t -103.94 -178.91 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.151 -0.931 . . . . 61.35 109.239 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.65 ' H ' HG12 ' A' ' 27' ' ' VAL . 95.7 mttt -51.4 -66.13 0.44 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.992 0.738 . . . . 71.52 112.992 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.71 -42.46 2.52 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.318 0.488 . . . . 64.13 112.318 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 38.5 mttm -115.96 148.39 40.14 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.05 0.389 . . . . 74.21 112.05 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 25' ' ' MET . 21.4 t -100.75 151.66 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.898 -0.779 . . . . 70.13 108.898 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.463 ' H ' ' HE2' ' A' ' 25' ' ' MET . 64.1 m-85 -131.72 153.73 49.74 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.79 0.663 . . . . 73.03 112.79 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.715 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 2.9 m80 -65.91 159.83 24.73 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.887 -1.051 . . . . 71.24 113.029 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.602 ' HB3' ' HB2' ' A' ' 23' ' ' MET . 2.4 pp -56.29 -48.17 77.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.454 -0.573 . . . . 74.42 109.454 174.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' H ' ' HG ' ' A' ' 34' ' ' LEU . 45.5 mt-10 -65.35 -29.7 70.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.419 -0.81 . . . . 72.11 110.579 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.715 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -93.15 4.07 54.61 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.402 -0.817 . . . . 50.41 111.207 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.654 ' HA ' HD13 ' A' ' 59' ' ' ILE . 27.4 t80 -133.96 52.47 2.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.527 0.68 . . . . 74.33 109.858 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 157.45 33.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.504 -0.771 . . . . 61.52 111.238 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.1 t -66.38 139.55 58.02 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.058 0.223 . . . . 74.45 110.482 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.36 2.23 55.82 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.823 0.675 . . . . 44.53 112.823 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -116.45 -50.87 2.62 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.251 0.463 . . . . 62.42 112.251 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.543 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 18.5 p -99.8 -3.8 31.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.584 0.231 . . . . 72.25 111.422 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.12 9.9 5.06 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.301 1.04 . . . . 74.42 113.204 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.543 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 12.9 tptm -66.24 157.67 30.87 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.792 0.329 . . . . 63.34 111.271 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.409 ' HB3' ' OE2' ' A' ' 97' ' ' GLU . 10.0 p80 -105.61 145.53 30.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.663 -0.699 . . . . 71.44 110.632 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.22 135.51 40.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.846 -0.616 . . . . 74.55 110.928 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 m -120.78 171.49 8.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.878 -1.055 . . . . 65.21 111.258 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.32 124.79 20.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 122.883 0.473 . . . . 73.4 111.944 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.08 6.3 37.02 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.763 -0.653 . . . . 64.22 113.843 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -118.36 147.56 43.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.123 0.461 . . . . 71.24 111.349 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -86.11 139.2 31.32 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.82 -0.627 . . . . 74.23 111.0 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.541 ' OH ' HG13 ' A' ' 27' ' ' VAL . 39.2 p90 -137.97 158.52 44.17 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.457 0.473 . . . . 65.34 111.925 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 65' ' ' ILE . 5.0 tt -120.09 129.34 54.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.228 -0.896 . . . . 63.11 108.795 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 55' ' ' ILE . 3.2 tt -89.43 115.65 27.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.105 -0.498 . . . . 55.3 111.699 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.2 tp -86.24 176.62 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 115.203 -0.908 . . . . 70.24 109.713 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.491 HD21 ' CB ' ' A' ' 108' ' ' ARG . 14.7 m-80 -47.71 -38.41 15.17 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.578 0.955 . . . . 75.13 113.578 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.3 t -120.56 -49.57 2.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.774 0.657 . . . . 70.43 112.774 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.567 ' O ' HG22 ' A' ' 55' ' ' ILE . 1.5 m-20 -116.35 -158.89 0.7 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.272 0.471 . . . . 75.52 112.272 -178.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' A' ' 37' ' ' PHE . 4.5 mp -120.16 134.85 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.12 0.568 . . . . 73.24 109.862 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 68' ' ' TRP . 28.6 t -121.08 127.7 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 O-C-N 123.54 0.525 . . . . 72.23 110.552 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.6 p -65.85 149.64 49.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.351 0.407 . . . . 72.41 111.393 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.514 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.14 -18.66 26.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.319 0.859 . . . . 74.23 113.319 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -65.78 -51.38 59.57 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.093 0.405 . . . . 75.13 112.093 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.8 p30 -110.89 15.36 21.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.556 0.576 . . . . 42.3 112.556 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -56.76 -46.47 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 N-CA-C 112.774 0.657 . . . . 73.54 112.774 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.35 -49.21 70.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.874 0.469 . . . . 70.12 111.702 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -65.7 -28.98 69.47 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.848 0.684 . . . . 63.44 112.848 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.546 ' HE1' HG12 ' A' ' 55' ' ' ILE . 58.3 t-105 -62.87 -57.11 11.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.683 0.253 . . . . 73.13 111.683 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.6 p -66.95 -30.39 70.51 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.883 0.373 . . . . 70.34 111.587 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -66.09 -41.43 90.65 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.285 -0.87 . . . . 73.44 112.578 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 67' ' ' GLU . 43.9 mm -84.66 -32.78 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.538 0.57 . . . . 74.41 112.538 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -68.71 -30.19 68.78 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.062 0.764 . . . . 73.23 113.062 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.503 ' HA2' ' ND2' ' A' ' 111' ' ' ASN . . . 76.53 -159.06 49.61 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 121.474 -0.394 . . . . 72.21 113.187 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 110' ' ' GLU . . . -174.45 157.65 25.38 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.398 -0.43 . . . . 61.03 112.726 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.1 m -113.94 -41.68 3.51 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.277 0.231 . . . . 52.4 111.244 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.19 135.9 3.88 Favored Glycine 0 C--N 1.34 0.777 0 O-C-N 123.408 0.443 . . . . 63.22 112.494 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.32 130.12 2.1 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.505 -0.379 . . . . 75.05 112.547 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.0 m -102.11 140.3 36.57 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.272 0.229 . . . . 62.24 110.915 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.44 -125.23 0.76 Allowed Glycine 0 C--N 1.338 0.667 0 CA-C-N 115.917 -0.583 . . . . 42.13 112.515 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.495 ' H ' HH12 ' A' ' 108' ' ' ARG . . . 148.56 154.6 6.36 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.479 -0.391 . . . . 70.3 112.512 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.6 p -99.49 130.37 45.74 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.647 0.263 . . . . 75.44 111.026 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.06 55.28 0.1 OUTLIER Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.834 -0.621 . . . . 73.23 112.518 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.82 -139.11 7.12 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 121.44 -0.409 . . . . 72.21 112.47 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -102.9 142.02 34.71 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.647 0.263 . . . . 73.24 110.833 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 t -115.22 144.59 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.875 -0.602 . . . . 64.22 109.9 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.7 mmt -120.08 145.35 46.96 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.777 -0.647 . . . . 73.44 111.224 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.24 157.23 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.667 -0.697 . . . . 61.23 110.513 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 110.17 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 116.041 -0.527 . . . . 74.03 111.082 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 -120.68 0.01 OUTLIER Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.245 -0.889 . . . . 65.22 114.93 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.815 ' H ' ' H ' ' A' ' 26' ' ' ARG . 16.2 mt-10 -50.91 158.6 1.12 Allowed Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 124.497 1.119 . . . . 70.12 113.07 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 24' ' ' THR . 32.8 Cg_endo -70.11 150.71 66.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.347 2.031 . . . . 72.51 115.286 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.73 ' HA ' ' H ' ' A' ' 24' ' ' THR . 9.4 p -102.25 109.35 21.0 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 113.85 -1.523 . . . . 74.13 108.731 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.658 ' N ' ' HA ' ' A' ' 23' ' ' MET . 3.8 mm? -66.32 111.09 3.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.914 -0.585 . . . . 74.54 112.137 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.46 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 65.6 mtt -18.6 129.24 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.306 1.443 . . . . 54.23 114.765 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.418 ' HA2' ' CD2' ' A' ' 21' ' ' TYR . . . -148.95 -132.64 2.14 Favored Glycine 0 C--N 1.34 0.777 0 CA-C-N 115.445 -0.798 . . . . 64.12 112.688 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.16 26.6 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.525 -0.369 . . . . 74.41 112.763 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.409 ' OE2' ' HB3' ' A' ' 45' ' ' HIS . 41.5 mt-10 -131.35 156.84 44.82 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.518 0.327 . . . . 65.14 111.252 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -127.33 -43.01 1.64 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.21 -0.45 . . . . 72.24 111.676 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.93 150.8 5.4 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 121.137 -0.554 . . . . 61.51 113.224 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.46 100.05 2.69 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.183 0.593 . . . . 72.42 109.88 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.7 -17.76 37.42 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.244 -0.889 . . . . 62.44 112.745 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.4 -11.58 1.97 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 114.393 1.257 . . . . 61.45 114.393 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.61 -2.76 30.76 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.906 0.706 . . . . 75.34 112.906 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -90.64 11.03 23.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 111.878 0.325 . . . . 72.2 111.878 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.8 -34.49 11.87 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.061 0.393 . . . . 75.13 112.061 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.822 HD13 ' H ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -87.68 157.6 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.496 0.554 . . . . 42.53 112.496 -178.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 73' ' ' GLY . 22.8 p -134.67 161.29 35.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.448 -0.797 . . . . 74.35 110.787 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.495 HH12 ' H ' ' A' ' 80' ' ' GLY . 2.9 tmt_? -122.09 -58.89 1.7 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.611 -0.268 . . . . 72.22 111.376 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.95 148.23 38.99 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.184 0.303 . . . . 63.32 111.07 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 74' ' ' GLY . 11.1 tt0 -91.91 125.2 36.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.944 -0.571 . . . . 74.13 111.103 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.503 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 4.5 p30 -134.55 161.83 33.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.588 -0.733 . . . . 73.5 110.778 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.8 p -85.58 115.35 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.275 -0.421 . . . . 73.42 111.559 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -135.76 157.05 47.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.621 -0.718 . . . . 53.12 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -92.58 153.07 19.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.05 -0.523 . . . . 72.15 111.017 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -93.18 147.89 22.49 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.972 -0.558 . . . . 75.03 111.225 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -124.27 154.39 40.29 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.748 -0.66 . . . . 71.34 111.153 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.82 -41.99 9.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.992 -0.549 . . . . 72.43 111.597 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 63.09 128.11 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.918 0.887 . . . . 73.4 112.126 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -100.1 -102.48 2.46 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.802 -0.635 . . . . 71.42 112.533 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -111.1 146.73 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 O-C-N 123.616 0.244 . . . . 71.42 111.333 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.18 137.11 52.87 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.848 -0.615 . . . . 74.34 110.853 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -103.42 138.25 40.41 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.859 -0.61 . . . . 75.0 110.806 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.486 -0.768 . . . . 75.3 110.55 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.568 0.223 . . . . 74.15 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tp -100.55 148.07 25.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.827 -0.624 . . . . 73.21 110.567 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.57 129.13 38.66 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.954 -0.566 . . . . 71.34 111.938 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.76 -37.9 1.52 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.781 -0.645 . . . . 73.23 111.212 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 63.53 123.87 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.972 0.909 . . . . 72.22 112.139 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.7 -77.38 1.07 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.668 -0.696 . . . . 72.24 112.06 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.489 ' HB2' HG22 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -120.28 143.28 48.41 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.677 0.281 . . . . 74.33 110.866 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -92.92 -10.96 34.63 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.593 -0.73 . . . . 71.04 111.177 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.641 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -93.05 89.61 1.36 Allowed Glycine 0 C--N 1.339 0.731 0 CA-C-N 115.658 -0.701 . . . . 63.22 112.69 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.47 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.3 mp -55.6 159.39 2.95 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.785 0.834 . . . . 75.44 111.8 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.576 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.5 t -60.65 135.01 57.64 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.603 0.594 . . . . 74.54 112.603 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.17 82.57 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.838 -1.074 . . . . 62.14 113.015 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 m -89.38 -52.6 4.96 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.211 0.319 . . . . 73.32 111.773 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 2.6 p -102.94 155.54 18.29 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.093 0.245 . . . . 65.02 110.534 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.79 53.17 2.33 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.333 0.587 . . . . 63.35 110.878 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -120.93 135.19 55.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.5 -0.773 . . . . 72.21 109.783 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -65.16 135.98 56.13 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.828 -0.624 . . . . 73.24 112.536 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 9' ' ' GLY . 57.6 mt -87.37 125.07 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.48 -0.782 . . . . 73.32 109.248 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 77.8 mtp180 -112.15 -174.63 2.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.179 0.436 . . . . 73.25 112.179 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.27 63.88 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.075 0.768 . . . . 73.32 113.075 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -77.78 0.24 24.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 122.965 0.506 . . . . 62.12 110.476 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.642 ' OE2' ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -96.34 109.94 22.36 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.926 0.87 . . . . 64.3 112.453 -178.021 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.7 mtm -106.6 88.39 2.75 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.597 -1.638 . . . . 73.45 107.85 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -104.13 163.92 12.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.57 -1.196 . . . . 74.24 113.047 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 88' ' ' VAL . 13.9 ptm -107.09 172.23 6.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.642 -1.163 . . . . 73.33 109.911 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -89.2 108.64 19.73 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.667 0.27 . . . . 74.14 110.36 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.59 175.72 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.96 -0.564 . . . . 61.35 110.013 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.588 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.7 mttt -54.16 -67.29 0.27 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.279 0.844 . . . . 71.52 113.279 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.56 -42.34 2.54 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.169 0.433 . . . . 64.13 112.169 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.7 mttt -118.51 146.17 44.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.043 0.386 . . . . 74.21 112.043 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -101.65 147.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.626 -0.715 . . . . 70.13 109.276 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -127.0 162.09 26.83 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.302 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.643 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.7 m80 -65.13 154.77 36.98 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.879 0.472 . . . . 71.24 111.226 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.87 -44.07 90.9 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.805 -0.443 . . . . 74.42 109.805 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 41.1 mt-10 -66.17 -33.91 76.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.636 -0.711 . . . . 72.11 111.327 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.4 m -80.99 0.59 34.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.075 -0.511 . . . . 50.41 111.779 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -90.46 57.62 3.72 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.425 0.631 . . . . 74.33 110.409 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.492 ' HD3' ' CE1' ' A' ' 45' ' ' HIS . 9.7 mtmp? -120.07 164.52 16.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.292 -0.867 . . . . 61.52 111.244 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.5 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.088 0.555 . . . . 74.45 111.86 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.05 -10.93 48.7 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.93 0.715 . . . . 44.53 112.93 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -110.4 -50.26 2.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.349 0.5 . . . . 62.42 112.349 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.2 p -103.46 -6.56 21.71 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.7 mp0 63.74 14.95 8.63 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.06 0.944 . . . . 74.42 113.19 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.638 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 57.5 tttt -65.68 163.25 16.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.47 0.308 . . . . 63.34 111.411 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.492 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 56.8 m-70 -95.19 154.66 17.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.047 -0.524 . . . . 71.44 111.139 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -112.91 137.82 50.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.736 -0.665 . . . . 74.55 110.967 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 t -120.64 162.44 19.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.309 -0.859 . . . . 65.21 110.848 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.58 141.6 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.086 -0.506 . . . . 73.4 112.17 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.76 6.07 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.669 0.605 . . . . 64.22 113.112 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.7 150.65 20.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.63 0.253 . . . . 71.24 110.9 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -87.51 143.38 27.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.798 -0.637 . . . . 74.23 111.236 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -128.17 156.46 42.86 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.526 0.516 . . . . 65.34 111.343 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 tt -117.32 126.96 53.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.663 -0.699 . . . . 63.11 109.768 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.11 109.23 20.48 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.898 -0.592 . . . . 55.3 110.471 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.06 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 115.673 -0.694 . . . . 70.24 110.945 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.7 m-80 -47.96 -35.82 11.43 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.788 1.033 . . . . 75.13 113.788 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.503 ' H ' HG23 ' A' ' 55' ' ' ILE . 18.5 t -106.38 -73.89 0.67 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.846 0.313 . . . . 70.43 111.846 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.597 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.49 -163.37 1.01 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.308 0.243 . . . . 75.52 111.345 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -91.06 140.36 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 122.651 0.38 . . . . 73.24 110.412 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 68' ' ' TRP . 46.5 t -120.47 120.63 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 72.23 110.093 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -65.19 159.92 22.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.98 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.553 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -64.26 -18.32 64.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.795 -0.638 . . . . 74.23 112.592 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -66.04 -50.71 63.21 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.083 0.401 . . . . 75.13 112.083 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.406 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.1 p30 -110.85 15.18 21.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.864 0.69 . . . . 42.3 112.864 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -56.09 -51.45 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.244 0.618 . . . . 73.54 112.6 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -59.17 -52.71 64.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.117 0.567 . . . . 70.12 112.485 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 71' ' ' ILE . 41.7 mt-10 -62.59 -43.52 98.61 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.584 0.587 . . . . 63.44 112.584 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.476 ' HE1' HG12 ' A' ' 55' ' ' ILE . 55.2 t-105 -65.17 -42.19 93.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.752 0.421 . . . . 73.13 111.835 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 p -67.07 -28.88 68.56 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.096 0.558 . . . . 70.34 111.295 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.85 -43.63 98.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.199 -0.91 . . . . 73.44 112.086 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.0 mp -84.79 -47.37 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 123.364 0.415 . . . . 74.41 111.596 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -69.67 -29.84 67.38 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.961 0.726 . . . . 73.23 112.961 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.82 125.55 3.57 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.776 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.14 -55.03 0.01 OUTLIER Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.535 -0.364 . . . . 61.03 112.471 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.4 t -108.11 144.37 35.59 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.637 0.257 . . . . 52.4 110.706 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.1 -71.11 0.39 Allowed Glycine 0 C--N 1.337 0.597 0 CA-C-N 115.863 -0.608 . . . . 63.22 112.533 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.94 -67.67 0.02 OUTLIER Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.446 -0.406 . . . . 75.05 112.498 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -104.6 136.58 43.87 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.629 0.253 . . . . 62.24 110.693 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.63 139.09 14.23 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.894 -0.594 . . . . 42.13 112.509 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.05 -116.17 0.73 Allowed Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.476 -0.393 . . . . 70.3 112.554 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.4 p -100.37 138.17 37.79 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.622 0.248 . . . . 75.44 110.974 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.59 103.76 1.23 Allowed Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.816 -0.629 . . . . 73.23 112.461 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.39 79.13 0.04 OUTLIER Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.396 -0.431 . . . . 72.21 112.574 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.61 142.67 31.76 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.3 0.24 . . . . 73.24 110.86 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 t -112.45 143.36 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 115.892 -0.594 . . . . 64.22 109.975 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.3 mmt -120.08 148.65 43.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.914 -0.584 . . . . 73.44 110.978 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.87 149.67 5.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.831 -0.622 . . . . 61.23 110.63 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.501 ' HA ' ' SD ' ' A' ' 25' ' ' MET . 4.4 t -65.29 109.99 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 116.198 -0.455 . . . . 74.03 110.713 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' H ' ' CE ' ' A' ' 25' ' ' MET . . . -66.25 146.64 49.18 Favored Glycine 0 C--N 1.342 0.912 0 CA-C-N 115.557 -0.747 . . . . 65.22 113.946 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.92 111.6 6.85 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 122.96 0.504 . . . . 70.12 111.776 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -62.79 155.42 59.74 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 122.749 2.299 . . . . 72.51 113.105 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.5 p -120.09 111.29 17.68 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 74.13 111.251 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.15 118.39 9.82 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.78 -0.645 . . . . 74.54 111.806 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 90.7 mtp 40.76 105.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.751 1.22 . . . . 54.23 113.762 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.95 -172.67 29.82 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.671 -0.695 . . . . 64.12 112.926 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -153.08 147.26 16.58 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 112.239 -0.344 . . . . 74.41 112.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -98.17 137.66 36.61 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.64 0.259 . . . . 65.14 110.943 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.71 -42.45 7.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.816 -0.629 . . . . 72.24 111.269 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.57 153.48 24.57 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.414 0.446 . . . . 61.51 112.671 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.6 m-20 -143.21 93.97 2.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.286 0.565 . . . . 72.42 110.062 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -82.11 -18.91 41.29 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.266 -0.879 . . . . 62.44 112.355 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 -22.59 30.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.315 0.487 . . . . 61.45 112.315 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.18 -36.54 17.97 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.004 0.372 . . . . 75.34 112.004 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 16.7 ptm180 -84.09 -9.18 58.81 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.43 0.53 . . . . 72.2 112.43 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.8 tt -93.87 -47.21 6.85 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.196 0.31 . . . . 75.13 110.756 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.61 167.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 125.135 1.374 . . . . 42.53 114.361 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -142.35 123.84 14.88 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.721 -0.672 . . . . 74.35 110.848 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.21 147.08 27.48 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.935 -0.575 . . . . 72.22 110.931 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.56 154.54 18.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.795 -0.639 . . . . 63.32 110.887 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -93.28 130.45 39.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.01 -0.541 . . . . 74.13 111.086 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.99 152.79 19.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.82 -0.627 . . . . 73.5 111.227 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -97.53 146.17 25.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.928 -0.578 . . . . 73.42 111.145 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -127.37 143.81 51.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.884 -0.598 . . . . 53.12 110.953 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -101.52 146.27 27.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.881 -0.6 . . . . 72.15 110.889 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.08 -41.69 1.59 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.926 -0.579 . . . . 75.03 111.265 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.91 140.36 33.19 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.405 0.441 . . . . 71.34 111.193 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.48 -41.49 7.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.859 -0.61 . . . . 72.43 111.426 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 18.4 m120 63.14 125.43 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.958 0.903 . . . . 73.4 112.024 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 130.59 -154.95 20.91 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.777 -0.647 . . . . 71.42 112.53 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -120.04 148.23 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 123.656 0.268 . . . . 71.42 111.334 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.67 130.93 46.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.898 -0.592 . . . . 74.34 110.927 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.46 127.25 40.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.986 -0.552 . . . . 75.0 111.07 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.061 -0.971 . . . . 75.3 110.837 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.534 0.207 . . . . 74.15 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 5' ' ' PHE . 5.8 mp -128.26 103.72 7.33 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.841 -0.618 . . . . 73.21 110.582 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.24 -47.78 72.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.673 -0.694 . . . . 71.34 112.554 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 mp -132.61 -13.4 2.95 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.394 0.434 . . . . 73.23 112.031 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.455 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 83.3 m-85 -84.15 154.49 23.09 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.435 0.294 . . . . 72.22 111.479 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.77 140.16 6.46 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.893 -0.594 . . . . 72.24 112.408 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -100.26 156.4 17.24 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.93 0.395 . . . . 74.33 111.535 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -103.07 -9.58 19.61 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.223 -0.899 . . . . 71.04 111.229 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.539 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -75.71 70.17 2.01 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.269 -0.423 . . . . 63.22 113.663 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -56.54 158.04 4.74 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.108 0.563 . . . . 75.44 111.236 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.4 t -76.77 135.64 38.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.938 0.399 . . . . 74.54 111.436 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -65.75 -33.66 76.37 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.093 -0.958 . . . . 62.14 113.114 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 m -92.95 -49.66 5.93 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.254 0.347 . . . . 73.32 111.905 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.6 p -106.98 157.98 17.38 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.095 0.247 . . . . 65.02 110.736 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -91.71 52.29 2.01 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.548 0.689 . . . . 63.35 110.486 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -120.18 131.89 55.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.209 -0.905 . . . . 72.21 109.944 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.16 130.95 45.21 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.775 -0.648 . . . . 73.24 111.954 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 22' ' ' GLU . 17.2 mt -79.27 98.56 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.687 -0.688 . . . . 73.32 109.263 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.522 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.2 tmt_? -147.78 159.89 43.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.518 -0.765 . . . . 73.25 112.056 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 55.44 -75.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.985 1.314 . . . . 73.32 114.252 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.479 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.5 t80 -72.92 -58.83 3.04 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.513 0.325 . . . . 62.12 111.221 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.547 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 32.61 -87.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.872 1.269 . . . . 64.3 114.291 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 68.0 mtt 45.55 76.69 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.058 0.943 . . . . 73.45 112.061 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.2 p -141.95 161.59 37.59 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.211 -0.904 . . . . 74.24 111.855 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.77 168.44 10.32 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.52 -0.764 . . . . 73.33 110.459 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -87.89 119.49 28.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.753 0.311 . . . . 74.14 110.935 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.682 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -93.38 -179.25 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.728 -0.669 . . . . 61.35 109.783 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.682 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.8 mttt -49.63 -67.75 0.24 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.708 1.003 . . . . 71.52 113.708 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.48 -43.16 2.51 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 111.978 0.362 . . . . 64.13 111.978 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 70.8 mttt -112.37 151.38 29.85 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.235 0.334 . . . . 74.21 111.543 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.8 t -106.13 146.4 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.881 -0.6 . . . . 70.13 109.917 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -128.53 150.25 50.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.979 -0.555 . . . . 73.03 111.104 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.692 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 13.3 m80 -65.52 159.23 24.98 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.405 0.441 . . . . 71.24 110.349 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.12 -44.82 87.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.6 0.238 . . . . 74.42 110.607 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.49 -33.32 75.42 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.831 -0.622 . . . . 72.11 111.392 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 28.0 m -82.32 -0.86 47.65 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.787 -0.642 . . . . 50.41 111.943 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -91.0 64.07 5.3 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.48 0.657 . . . . 74.33 110.082 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -120.7 163.63 17.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.195 -0.911 . . . . 61.52 111.862 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 43.0 t -66.13 147.3 53.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.389 0.676 . . . . 74.45 111.954 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.9 -7.01 50.4 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.8 -0.636 . . . . 44.53 112.122 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.3 -50.26 3.19 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.169 0.433 . . . . 62.42 112.169 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.5 p -109.56 -4.47 16.22 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.004 0.372 . . . . 72.25 112.004 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.93 11.77 7.29 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.075 0.95 . . . . 74.42 113.111 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.7 tttt -65.83 163.4 16.89 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.617 0.367 . . . . 63.34 111.385 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -97.8 151.44 20.19 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.076 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.24 154.14 19.31 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.655 -0.702 . . . . 74.55 110.968 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -120.61 155.68 33.24 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.594 -0.73 . . . . 65.21 111.261 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.77 128.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 115.937 -0.574 . . . . 73.4 112.279 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.92 -16.12 36.59 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 123.548 0.53 . . . . 64.22 113.494 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.55 151.76 19.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.764 0.282 . . . . 71.24 111.316 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.04 136.94 32.74 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.845 -0.616 . . . . 74.23 111.043 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -129.92 158.59 39.12 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.505 0.503 . . . . 65.34 111.415 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.43 126.45 54.99 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.701 -0.681 . . . . 63.11 109.624 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -93.59 110.14 21.74 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.882 -0.599 . . . . 55.3 110.306 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -91.87 175.9 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.696 -0.684 . . . . 70.24 110.898 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' H ' HG13 ' A' ' 55' ' ' ILE . 16.8 m-80 -48.04 -36.32 12.71 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.713 1.005 . . . . 75.13 113.713 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.525 ' H ' HG23 ' A' ' 55' ' ' ILE . 50.5 m -105.5 -75.54 0.62 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.187 0.44 . . . . 70.43 112.187 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.625 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.43 -167.16 1.41 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.698 0.259 . . . . 75.52 111.698 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -92.68 143.67 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.693 0.397 . . . . 73.24 110.471 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 68' ' ' TRP . 4.6 t -120.24 127.8 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.661 0.601 . . . . 72.23 109.852 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 p -65.19 157.32 29.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.938 -0.574 . . . . 72.41 112.293 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.643 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.4 mt-10 -58.6 -23.33 58.53 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.908 -0.587 . . . . 74.23 111.997 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -41.8 85.66 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.578 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -109.0 4.16 22.91 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.49 0.552 . . . . 42.3 112.49 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.56 -51.48 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 113.072 0.767 . . . . 73.54 113.072 -178.286 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.53 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.6 t80 -63.75 -51.68 63.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.998 0.519 . . . . 70.12 112.372 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.587 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.15 -39.48 93.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.716 0.636 . . . . 63.44 112.716 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.442 ' CD1' HG21 ' A' ' 60' ' ' VAL . 57.9 t-105 -65.4 -50.31 65.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.39 0.276 . . . . 73.13 111.348 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -64.13 -29.02 70.17 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.083 0.468 . . . . 70.34 110.949 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 52.7 tttt -65.09 -42.52 93.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.892 -1.049 . . . . 73.44 111.942 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.0 mm -84.51 -46.57 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 115.851 -0.613 . . . . 74.41 111.758 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -76.21 -29.97 57.81 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.724 0.638 . . . . 73.23 112.724 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.02 129.21 5.05 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.373 -0.441 . . . . 72.21 112.558 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.97 -150.33 6.07 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 121.541 -0.362 . . . . 61.03 112.536 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.3 m -128.17 142.52 51.16 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.62 0.247 . . . . 52.4 110.857 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.7 -158.45 11.28 Favored Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.812 -0.631 . . . . 63.22 112.659 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.68 -143.53 16.52 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 121.48 -0.39 . . . . 75.05 112.465 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.6 m -99.64 -42.45 6.88 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.584 0.226 . . . . 62.24 111.273 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.71 78.01 0.03 OUTLIER Glycine 0 C--N 1.34 0.796 0 O-C-N 123.491 0.494 . . . . 42.13 112.401 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -108.71 -125.58 5.21 Favored Glycine 0 C--N 1.338 0.665 0 C-N-CA 121.373 -0.441 . . . . 70.3 112.578 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.6 m -97.33 136.84 37.23 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.387 0.275 . . . . 75.44 110.98 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.65 55.22 0.96 Allowed Glycine 0 C--N 1.338 0.652 0 CA-C-N 115.785 -0.643 . . . . 73.23 112.438 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.44 110.91 0.3 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 121.457 -0.402 . . . . 72.21 112.511 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -123.83 144.34 49.79 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.318 0.247 . . . . 73.24 110.748 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -119.3 135.2 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 115.923 -0.58 . . . . 64.22 110.019 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.2 mmt -120.24 153.15 36.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.684 -0.689 . . . . 73.44 110.971 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 p -95.93 147.3 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.742 -0.663 . . . . 61.23 110.647 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.38 110.24 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 116.107 -0.497 . . . . 74.03 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.37 146.11 48.33 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-N 115.642 -0.708 . . . . 65.22 113.488 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.89 141.67 97.73 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-O 119.14 -0.457 . . . . 70.12 111.493 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.83 135.91 16.27 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.387 2.058 . . . . 72.51 112.697 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 95' ' ' GLY . 19.0 p -120.13 119.57 33.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.913 -0.585 . . . . 74.13 111.085 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -65.85 126.34 28.18 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.93 -0.577 . . . . 74.54 112.219 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 65.7 mtt 40.98 36.0 0.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.614 1.166 . . . . 54.23 113.558 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.462 ' O ' ' HB ' ' A' ' 92' ' ' THR . . . 97.79 -85.42 0.76 Allowed Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.021 -0.536 . . . . 64.12 112.584 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.06 -109.25 3.53 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.446 -0.407 . . . . 74.41 112.572 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HB3' ' OD1' ' A' ' 100' ' ' ASP . 44.7 mt-10 -102.0 138.85 38.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.313 0.245 . . . . 65.14 110.773 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.13 -43.09 1.33 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.972 -0.558 . . . . 72.24 111.334 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.7 63.5 0.67 Allowed Glycine 0 C--N 1.34 0.779 0 O-C-N 123.387 0.43 . . . . 61.51 112.588 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 7.5 m-20 -130.86 11.48 5.16 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.744 0.307 . . . . 72.42 111.495 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.11 -28.51 21.24 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.13 -0.486 . . . . 62.44 111.979 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.61 -15.87 44.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.124 0.416 . . . . 61.45 112.124 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.9 -36.98 18.09 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.292 0.37 . . . . 75.34 111.718 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.4 ptm180 -87.8 -0.79 57.41 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.093 0.405 . . . . 72.2 112.093 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -92.27 -40.15 11.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.473 -0.331 . . . . 75.13 111.236 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.433 ' H ' HG13 ' A' ' 106' ' ' ILE . 2.2 pp -96.64 135.09 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.35 -0.386 . . . . 42.53 111.43 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -139.43 148.76 43.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.88 -0.6 . . . . 74.35 111.14 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -101.79 133.2 46.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.9 -0.591 . . . . 72.22 110.86 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -129.0 148.02 50.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.854 -0.612 . . . . 63.32 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.78 145.45 28.5 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.856 -0.611 . . . . 74.13 110.861 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -110.47 -42.59 4.06 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.621 0.576 . . . . 73.5 111.279 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 p -99.29 137.5 37.7 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.364 0.415 . . . . 73.42 111.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -128.29 142.21 51.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.859 -0.61 . . . . 53.12 110.802 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -103.21 -40.0 6.61 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.861 -0.609 . . . . 72.15 111.358 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 63.67 127.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.922 0.889 . . . . 75.03 111.938 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.06 149.14 23.32 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.792 -0.64 . . . . 71.34 111.303 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -97.22 -10.97 24.79 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.805 -0.634 . . . . 72.43 111.896 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 63.98 125.07 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.975 0.91 . . . . 73.4 111.871 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.43 105.57 0.22 Allowed Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.732 -0.667 . . . . 71.42 112.474 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.442 ' H ' HG13 ' A' ' 120' ' ' ILE . 2.2 pp -96.69 -10.43 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 112.093 0.405 . . . . 71.42 112.093 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.96 -42.48 8.63 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.328 0.393 . . . . 74.34 111.334 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -129.13 130.94 47.06 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.409 0.443 . . . . 75.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.087 -0.959 . . . . 75.3 110.779 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 111.341 0.126 . . . . 74.15 111.341 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -98.52 132.02 44.28 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.398 0.436 . . . . 73.21 110.92 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -65.7 -39.09 90.9 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.962 -0.563 . . . . 71.34 111.9 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 mp -97.76 143.34 28.5 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.435 0.459 . . . . 73.23 110.838 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -128.78 152.37 48.54 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.952 -0.567 . . . . 72.22 110.918 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.4 -85.94 1.65 Allowed Glycine 0 C--N 1.339 0.7 0 CA-C-N 115.859 -0.61 . . . . 72.24 112.62 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.477 HE22 HG22 ' A' ' 18' ' ' ILE . 3.5 tt0 -128.16 161.92 28.14 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.758 0.313 . . . . 74.33 110.957 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -93.91 -12.12 29.53 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.715 -0.675 . . . . 71.04 111.627 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.54 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -97.24 91.76 1.25 Allowed Glycine 0 C--N 1.34 0.792 0 C-N-CA 121.486 -0.388 . . . . 63.22 112.846 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.02 158.13 30.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.695 0.398 . . . . 75.44 110.269 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 41.9 t -77.68 136.14 38.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.176 0.512 . . . . 74.54 112.064 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.07 -37.02 84.76 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.795 -1.093 . . . . 62.14 112.934 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 p -89.01 -52.18 5.21 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.316 0.385 . . . . 73.32 111.951 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.586 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.8 p -105.7 158.57 16.62 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.25 0.344 . . . . 65.02 110.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.7 49.52 1.68 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.396 0.617 . . . . 63.35 110.683 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -120.63 131.9 54.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.287 -0.87 . . . . 72.21 110.053 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -65.78 136.36 56.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.834 -0.621 . . . . 73.24 112.247 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 14.3 mt -72.42 142.36 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.686 -0.688 . . . . 73.32 109.87 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -128.37 -178.01 4.39 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.902 0.334 . . . . 73.25 111.902 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.79 -26.29 66.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.183 0.593 . . . . 73.32 112.477 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -74.58 -30.94 61.9 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.416 0.447 . . . . 62.12 110.712 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.725 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.5 mm-40 -72.59 -45.76 57.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.756 -0.656 . . . . 64.3 112.555 -177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.53 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 64.7 mtt 46.43 88.04 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.351 0.596 . . . . 73.45 110.659 -179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.5 p -104.34 157.43 17.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 74.24 111.876 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.555 ' SD ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -104.51 167.9 9.43 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.511 -0.768 . . . . 73.33 110.849 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -82.44 115.57 21.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.866 0.365 . . . . 74.14 111.195 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.0 t -99.51 -179.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 115.511 -0.768 . . . . 61.35 109.767 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.66 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.8 mttt -49.86 -66.45 0.39 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.616 0.969 . . . . 71.52 113.616 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.3 -46.19 2.41 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.922 0.342 . . . . 64.13 111.922 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 35.5 mtmt -118.02 153.3 33.92 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.378 0.424 . . . . 74.21 111.467 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.92 146.44 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.938 -0.573 . . . . 70.13 110.008 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -124.49 145.63 49.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.02 -0.536 . . . . 73.03 111.534 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.634 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 10.6 m80 -65.78 159.21 25.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.028 0.531 . . . . 71.24 110.911 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.5 pp -65.07 -47.65 76.54 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.45 0.167 . . . . 74.42 110.635 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.82 -28.96 69.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.995 -0.548 . . . . 72.11 111.686 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 15.5 m -89.12 -6.28 57.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.03 -0.532 . . . . 50.41 111.814 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -89.6 55.63 3.28 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.464 0.649 . . . . 74.33 110.248 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.97 161.89 20.83 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.277 -0.874 . . . . 61.52 111.701 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 32.5 t -66.12 147.03 53.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.712 -0.677 . . . . 74.45 111.815 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.77 -6.87 35.2 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.049 -0.523 . . . . 44.53 111.933 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.12 -47.68 4.66 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 111.89 0.33 . . . . 62.42 111.89 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.4 p -113.28 -3.33 13.85 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.867 0.321 . . . . 72.25 111.867 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.548 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 65.18 12.43 8.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.101 0.961 . . . . 74.42 113.102 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.609 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 35.5 tttm -65.96 163.08 17.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.633 0.373 . . . . 63.34 111.409 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -102.05 152.96 20.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -105.95 141.55 37.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.718 -0.674 . . . . 74.55 111.191 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 p -120.65 161.42 21.41 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.344 -0.844 . . . . 65.21 111.115 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.61 136.04 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 112.295 0.48 . . . . 73.4 112.295 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.98 -27.05 15.43 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.908 -0.587 . . . . 64.22 113.326 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.89 149.54 21.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.627 0.251 . . . . 71.24 111.283 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -83.04 138.7 33.63 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.78 -0.645 . . . . 74.23 111.282 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -128.94 154.06 46.93 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.545 0.528 . . . . 65.34 111.42 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 128.68 56.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.709 -0.678 . . . . 63.11 109.7 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.73 112.25 24.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.894 -0.594 . . . . 55.3 110.459 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -90.99 176.18 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.704 -0.68 . . . . 70.24 110.81 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -47.91 -34.16 8.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.953 1.094 . . . . 75.13 113.953 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.476 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.5 t -120.01 -58.76 1.85 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.826 0.676 . . . . 70.43 112.826 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.21 -163.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.197 0.443 . . . . 75.52 112.197 -178.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -106.73 140.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 122.813 0.445 . . . . 73.24 110.144 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.542 HG21 ' CD1' ' A' ' 68' ' ' TRP . 12.0 t -120.6 127.41 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.901 -0.591 . . . . 72.23 110.181 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 p -65.26 159.3 24.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.883 -0.598 . . . . 72.41 112.162 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.3 mt-10 -62.09 -21.21 64.79 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.011 -0.54 . . . . 74.23 111.8 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -67.16 -40.96 86.74 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.282 -0.417 . . . . 75.13 111.599 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -110.38 6.18 22.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.709 0.633 . . . . 42.3 112.709 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.54 -54.35 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.254 0.835 . . . . 73.54 113.254 -178.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.558 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 52.7 t80 -58.57 -53.74 54.98 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.683 0.623 . . . . 70.12 112.683 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.591 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.2 mt-10 -65.07 -39.79 93.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.927 0.714 . . . . 63.44 112.927 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.542 ' CD1' HG21 ' A' ' 60' ' ' VAL . 55.4 t-105 -65.55 -54.52 26.79 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.63 0.372 . . . . 73.13 111.784 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.5 p -61.52 -29.57 70.08 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.091 0.472 . . . . 70.34 111.529 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 34.4 tttp -65.52 -38.7 90.44 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.186 -0.915 . . . . 73.44 112.633 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 67' ' ' GLU . 15.0 mm -84.51 -47.66 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.05 0.759 . . . . 74.41 113.05 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -94.85 -29.99 14.43 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.325 0.861 . . . . 73.23 113.325 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.12 131.8 10.96 Favored Glycine 0 C--N 1.338 0.662 0 C-N-CA 121.065 -0.588 . . . . 72.21 112.84 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.95 -55.08 0.38 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.551 -0.357 . . . . 61.03 112.469 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.9 p -128.02 134.1 49.2 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.634 0.255 . . . . 52.4 110.881 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -158.9 -142.93 3.52 Favored Glycine 0 C--N 1.337 0.606 0 CA-C-N 115.921 -0.581 . . . . 63.22 112.53 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.68 143.39 16.03 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.411 -0.423 . . . . 75.05 112.503 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m 70.68 -51.07 0.67 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.521 1.128 . . . . 62.24 112.4 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.96 -151.04 22.21 Favored Glycine 0 C--N 1.34 0.765 0 C-N-CA 121.434 -0.413 . . . . 42.13 112.558 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.26 152.43 23.74 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 121.479 -0.391 . . . . 70.3 112.518 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.0 m -124.56 -42.34 2.09 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 122.246 0.218 . . . . 75.44 111.296 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.29 159.97 9.74 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 123.45 0.469 . . . . 73.23 112.625 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.81 135.76 8.13 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 121.45 -0.405 . . . . 72.21 112.579 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.18 150.65 22.3 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 122.343 0.257 . . . . 73.24 110.922 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.05 131.98 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.981 -0.554 . . . . 64.22 110.13 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -120.2 157.51 28.92 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.654 -0.703 . . . . 73.44 111.184 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.14 152.1 3.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.83 -0.623 . . . . 61.23 110.386 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.19 110.06 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 120.955 0.407 . . . . 74.03 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 25' ' ' MET . . . -66.39 154.19 51.94 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.406 -0.815 . . . . 65.22 113.916 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 12.8 tt0 -66.3 138.79 96.04 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 118.947 -0.549 . . . . 70.12 110.914 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.53 ' HB3' ' O ' ' A' ' 23' ' ' MET . 3.8 Cg_exo -77.19 149.29 28.07 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.257 1.971 . . . . 72.51 112.809 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 t -120.36 128.25 53.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.359 0.599 . . . . 74.13 111.508 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.1 109.84 2.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.424 -1.262 . . . . 74.54 111.587 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 16.2 mmt 40.79 105.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.668 1.187 . . . . 54.23 113.848 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.06 -162.64 13.08 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.593 -0.731 . . . . 64.12 112.791 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.73 -129.78 6.8 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 121.49 -0.386 . . . . 74.41 112.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG2' ' OE2' ' A' ' 101' ' ' GLU . 41.2 mt-10 -97.92 140.15 32.7 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 122.283 0.233 . . . . 65.14 111.058 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -98.42 -41.75 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.869 -0.605 . . . . 72.24 111.16 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.2 -121.25 4.27 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 123.491 0.494 . . . . 61.51 112.468 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.495 ' OD1' ' HB2' ' A' ' 103' ' ' GLU . 3.1 t70 -147.55 97.06 2.78 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.247 0.546 . . . . 72.42 110.074 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.4 mp0 -82.75 -18.94 38.93 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.287 -0.869 . . . . 62.44 112.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.46 -19.62 33.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.099 0.407 . . . . 61.45 112.099 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.495 ' HB2' ' OD1' ' A' ' 100' ' ' ASP . 2.9 tp10 -87.23 -39.61 15.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.5 -0.318 . . . . 75.34 111.44 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 37.6 ptt180 -87.36 8.1 25.96 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.441 0.463 . . . . 72.2 112.141 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 4.8 tp -92.66 -42.47 9.61 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.32 -0.4 . . . . 75.13 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.8 pp 47.87 173.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 125.001 1.32 . . . . 42.53 114.057 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.7 p -111.96 147.86 34.99 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.934 -0.576 . . . . 74.35 111.107 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -104.92 148.63 26.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.908 -0.587 . . . . 72.22 110.671 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.08 146.57 26.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.843 -0.617 . . . . 63.32 110.94 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 149.86 33.14 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.876 -0.602 . . . . 74.13 110.929 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -99.21 144.92 27.78 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.863 -0.608 . . . . 73.5 110.823 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -111.66 147.01 36.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.863 -0.608 . . . . 73.42 111.1 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.79 144.84 44.98 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 53.12 110.517 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -128.21 150.56 49.97 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.951 -0.568 . . . . 72.15 110.991 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 62.97 125.25 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.985 0.914 . . . . 75.03 112.09 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.26 -40.27 5.45 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.761 -0.654 . . . . 71.34 111.438 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -95.94 -37.96 10.46 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.438 0.461 . . . . 72.43 111.552 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 18.7 m120 63.65 126.18 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.981 0.912 . . . . 73.4 112.02 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.43 161.75 30.3 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.733 -0.667 . . . . 71.42 112.606 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.496 HD12 ' N ' ' A' ' 121' ' ' ASP . 1.4 pp -107.52 -39.68 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 111.779 0.289 . . . . 71.42 111.779 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 120' ' ' ILE . 11.3 m-20 -133.64 -42.32 0.84 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.235 0.335 . . . . 74.34 111.118 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -102.07 129.79 48.48 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.301 -0.409 . . . . 75.0 110.499 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 N--CA 1.484 1.232 0 C-N-CA 123.884 0.873 . . . . 75.3 112.037 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.302 0.096 . . . . 74.15 111.236 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.1 mt -122.32 -42.18 2.37 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.409 0.443 . . . . 73.21 111.259 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 40.49 105.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.909 1.284 . . . . 71.34 113.797 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.47 -42.32 8.15 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.543 -0.753 . . . . 73.23 111.263 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -103.47 141.88 35.22 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.37 0.419 . . . . 72.22 110.912 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.5 95.63 2.18 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.859 -0.61 . . . . 72.24 112.512 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 61.07 157.39 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.026 0.93 . . . . 74.33 112.588 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.9 -43.03 10.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.977 -0.556 . . . . 71.04 111.545 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.95 -36.82 1.93 Allowed Glycine 0 C--N 1.339 0.739 0 C-N-CA 121.366 -0.445 . . . . 63.22 112.968 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.2 157.87 18.37 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.32 0.248 . . . . 75.44 110.886 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 42.2 t -84.95 144.63 28.21 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.002 -0.545 . . . . 74.54 111.029 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -37.37 86.13 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.433 0.901 . . . . 62.14 113.433 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -95.67 -53.75 3.61 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.032 0.382 . . . . 73.32 112.032 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 5.2 p -101.06 162.86 12.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.57 0.224 . . . . 65.02 111.205 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.13 49.03 1.37 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.356 0.598 . . . . 63.35 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.619 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 57.3 mttm -113.25 133.63 55.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.486 -0.779 . . . . 72.21 111.11 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -65.64 136.64 56.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.948 -0.569 . . . . 73.24 111.064 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.619 HG23 ' HB3' ' A' ' 22' ' ' GLU . 64.5 mt -84.92 115.62 27.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.101 -0.5 . . . . 73.32 110.726 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.44 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 15.5 ttm180 -100.89 -174.48 2.63 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.227 -0.897 . . . . 73.25 110.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.44 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . -69.86 -5.87 28.71 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.949 0.722 . . . . 73.32 112.949 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -87.76 -13.87 41.2 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.996 0.518 . . . . 62.12 111.387 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.619 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -43.65 -48.72 7.79 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.446 1.276 . . . . 64.3 114.446 -178.22 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.598 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 65.2 mtt 42.45 47.16 4.29 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.878 0.846 . . . . 73.45 110.663 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' GLU . 41.0 p -104.72 169.75 8.27 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.603 -1.18 . . . . 74.24 112.237 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -111.48 150.86 29.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.346 -0.843 . . . . 73.33 109.689 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 115.26 14.65 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.339 -0.391 . . . . 74.14 111.408 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.706 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.4 t -88.76 -179.16 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 115.59 -0.732 . . . . 61.35 109.916 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.706 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.7 mttt -48.07 -67.06 0.31 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.789 1.033 . . . . 71.52 113.789 -178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.37 -42.69 2.54 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.355 0.502 . . . . 64.13 112.355 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.7 mttt -109.99 150.89 27.85 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.24 0.337 . . . . 74.21 111.55 -178.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 t -104.84 137.6 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.768 -0.651 . . . . 70.13 109.632 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -118.89 151.79 37.47 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.939 -0.573 . . . . 73.03 111.323 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m80 -65.37 163.76 15.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.089 0.555 . . . . 71.24 110.964 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.2 pp -65.26 -47.44 76.7 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 110.089 -0.337 . . . . 74.42 110.089 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.67 -33.95 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.509 -0.769 . . . . 72.11 111.641 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 34.4 m -80.21 -0.4 36.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.744 -0.662 . . . . 50.41 112.252 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -92.25 55.58 2.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.613 0.721 . . . . 74.33 109.394 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -120.76 165.69 14.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.191 -0.913 . . . . 61.52 112.062 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.1 t -66.12 147.32 53.51 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.481 0.712 . . . . 74.45 112.069 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.77 -8.62 43.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.825 -0.625 . . . . 44.53 112.212 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.13 -50.66 3.31 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 62.42 112.11 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 26.2 p -107.43 -4.76 18.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.938 0.348 . . . . 72.25 111.938 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.6 mp0 64.61 12.07 7.21 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.012 0.925 . . . . 74.42 113.1 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.9 tttt -65.87 162.44 19.0 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.604 0.362 . . . . 63.34 111.236 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -99.83 148.71 24.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.109 -0.496 . . . . 71.44 111.186 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -99.89 152.97 19.54 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.558 -0.746 . . . . 74.55 110.739 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -120.43 156.67 30.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.705 -0.679 . . . . 65.21 111.352 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.62 122.57 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 115.924 -0.58 . . . . 73.4 112.08 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.93 6.49 32.29 Favored Glycine 0 C--N 1.337 0.59 0 O-C-N 123.603 0.564 . . . . 64.22 113.43 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.9 153.22 28.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.76 0.28 . . . . 71.24 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -85.31 128.73 34.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.841 -0.618 . . . . 74.23 111.208 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -126.33 155.64 41.7 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.458 0.474 . . . . 65.34 111.419 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.39 128.73 56.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.693 -0.685 . . . . 63.11 109.899 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.83 106.91 18.86 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.965 -0.561 . . . . 55.3 110.213 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.31 175.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.648 -0.705 . . . . 70.24 110.94 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' H ' HG13 ' A' ' 55' ' ' ILE . 16.5 m-80 -48.0 -35.79 11.57 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.819 1.044 . . . . 75.13 113.819 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.517 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.7 p -108.44 -72.94 0.7 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.39 0.515 . . . . 70.43 112.39 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.0 m-20 -120.42 -164.68 1.12 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 111.638 0.236 . . . . 75.52 111.638 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -94.24 140.35 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 122.73 0.412 . . . . 73.24 110.398 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.6 t -120.49 127.17 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.88 -0.6 . . . . 72.23 109.961 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.21 158.75 25.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.14 0.576 . . . . 72.41 112.27 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.662 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.8 tt0 -61.92 -21.55 64.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.9 -0.591 . . . . 74.23 111.654 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.02 -40.55 87.28 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.619 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.32 5.86 21.96 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.654 0.613 . . . . 42.3 112.654 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -56.37 -54.37 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.034 0.753 . . . . 73.54 113.034 -178.541 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.64 -52.31 66.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.078 0.551 . . . . 70.12 112.476 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.4 mt-10 -64.81 -44.21 90.61 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.607 0.595 . . . . 63.44 112.607 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.48 ' HE1' HG12 ' A' ' 55' ' ' ILE . 49.6 t-105 -65.18 -42.64 93.43 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.14 0.422 . . . . 73.13 112.14 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.0 p -67.07 -29.04 68.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.978 0.418 . . . . 70.34 111.228 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -58.56 -46.04 87.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.139 -0.937 . . . . 73.44 111.603 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.2 mp -85.07 -47.33 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 123.492 0.495 . . . . 74.41 111.182 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -77.77 5.28 9.78 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.703 -0.681 . . . . 73.23 112.821 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.01 66.68 0.54 Allowed Glycine 0 C--N 1.339 0.749 0 C-N-CA 121.437 -0.411 . . . . 72.21 112.398 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.82 149.17 4.9 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.482 -0.389 . . . . 61.03 112.503 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.2 p -98.08 -41.15 8.08 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.617 0.245 . . . . 52.4 111.37 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.74 85.85 0.16 Allowed Glycine 0 C--N 1.339 0.729 0 O-C-N 123.434 0.459 . . . . 63.22 112.496 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.01 -131.05 10.34 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.429 -0.415 . . . . 75.05 112.517 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.4 m -100.24 148.59 24.48 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.322 0.249 . . . . 62.24 110.968 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.9 -118.84 4.23 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.814 -0.63 . . . . 42.13 112.595 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -150.37 -102.62 0.25 Allowed Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.465 -0.397 . . . . 70.3 112.52 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 t -101.03 145.7 28.38 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.618 0.246 . . . . 75.44 110.767 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.59 -72.61 0.79 Allowed Glycine 0 C--N 1.337 0.628 0 CA-C-N 115.877 -0.601 . . . . 73.23 112.389 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.03 -171.09 40.25 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.472 -0.395 . . . . 72.21 112.702 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.53 145.43 29.61 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.629 0.252 . . . . 73.24 110.78 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.3 p -100.16 130.13 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.923 -0.58 . . . . 64.22 110.81 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.4 mtt -120.4 157.63 28.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.612 -0.722 . . . . 73.44 111.035 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.55 142.61 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.981 -0.554 . . . . 61.23 110.287 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -65.69 109.14 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.332 0.395 . . . . 74.03 110.953 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.56 164.74 45.02 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.601 -0.727 . . . . 65.22 113.426 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.3 157.85 80.04 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 119.118 -0.468 . . . . 70.12 111.799 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.598 ' HB3' ' O ' ' A' ' 23' ' ' MET . 5.3 Cg_exo -79.62 135.37 11.57 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.459 2.106 . . . . 72.51 112.569 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -120.32 111.41 17.74 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.519 0.512 . . . . 74.13 111.446 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.08 126.45 28.66 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.743 -0.662 . . . . 74.54 111.618 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 mmt 40.91 -82.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.752 1.221 . . . . 54.23 113.687 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.54 87.53 0.13 Allowed Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.586 -0.34 . . . . 64.12 112.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.81 139.64 8.36 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.48 -0.39 . . . . 74.41 112.472 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.9 115.75 31.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.877 0.37 . . . . 65.14 110.952 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.544 ' HB3' ' OE1' ' A' ' 101' ' ' GLU . 95.4 m-85 -131.09 86.13 2.34 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.576 -0.738 . . . . 72.24 110.305 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.01 48.46 0.94 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.196 -0.911 . . . . 61.51 112.884 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.68 4.14 3.88 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.919 0.39 . . . . 72.42 111.509 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.544 ' OE1' ' HB3' ' A' ' 98' ' ' PHE . 1.7 mp0 -88.3 -29.22 20.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.743 -0.662 . . . . 62.44 111.866 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.5 -13.98 50.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.361 0.504 . . . . 61.45 112.361 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -82.65 -36.8 25.7 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.556 0.342 . . . . 75.34 111.909 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -93.52 -9.75 37.26 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.317 0.385 . . . . 72.2 111.968 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.455 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.2 tt -93.93 -15.27 25.12 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.185 0.303 . . . . 75.13 111.713 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.411 ' H ' HG13 ' A' ' 106' ' ' ILE . 1.6 pp -85.45 113.64 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 111.882 0.327 . . . . 42.53 111.882 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -144.82 151.67 39.13 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.631 -0.713 . . . . 74.35 110.838 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -109.19 114.66 28.57 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.087 -0.506 . . . . 72.22 110.764 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.17 149.61 48.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.689 -0.687 . . . . 63.32 110.798 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.56 125.49 51.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.939 -0.573 . . . . 74.13 110.686 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -131.52 128.97 40.42 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.895 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -120.15 146.49 45.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.824 -0.625 . . . . 73.42 111.038 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -126.13 124.41 40.48 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.618 0.574 . . . . 53.12 110.86 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -132.92 153.9 50.95 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.837 -0.619 . . . . 72.15 110.639 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -96.85 130.42 44.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.929 -0.578 . . . . 75.03 110.885 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.54 -36.51 2.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.887 -0.597 . . . . 71.34 111.645 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -90.4 -37.72 13.79 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.349 0.406 . . . . 72.43 111.854 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -95.12 129.46 42.21 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.388 0.43 . . . . 73.4 111.062 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 145.08 65.97 0.02 OUTLIER Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.827 -0.624 . . . . 71.42 112.455 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -119.93 151.73 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 O-C-N 123.615 0.244 . . . . 71.42 111.395 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.35 143.11 50.97 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.825 -0.625 . . . . 74.34 110.852 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -101.04 136.07 41.49 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.883 -0.598 . . . . 75.0 110.79 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.46 -0.781 . . . . 75.3 110.798 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.36 0.124 . . . . 74.15 111.309 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.7 mt 63.99 136.34 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.986 0.914 . . . . 73.21 112.104 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.67 147.35 53.54 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.777 -0.647 . . . . 71.34 111.949 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -104.27 -9.77 18.34 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.816 -0.629 . . . . 73.23 111.729 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -90.47 156.15 18.4 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.467 -0.333 . . . . 72.22 111.263 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.57 -100.33 1.18 Allowed Glycine 0 C--N 1.341 0.828 0 CA-C-N 115.93 -0.577 . . . . 72.24 112.758 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.412 ' HB2' HG22 ' A' ' 18' ' ' ILE . 1.7 mt-30 -128.59 137.84 51.91 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.949 0.404 . . . . 74.33 111.557 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -94.68 -8.23 38.42 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.174 -0.921 . . . . 71.04 110.644 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.596 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -89.63 89.27 1.54 Allowed Glycine 0 C--N 1.339 0.742 0 CA-C-N 115.349 -0.841 . . . . 63.22 112.547 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.45 159.19 2.9 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.729 0.812 . . . . 75.44 111.811 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.597 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 36.0 t -63.19 133.7 54.74 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.793 0.664 . . . . 74.54 112.793 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.12 -33.53 75.98 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.747 -1.115 . . . . 62.14 112.6 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 p -90.37 -53.31 4.5 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.391 0.432 . . . . 73.32 111.618 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.1 p -102.66 153.7 19.86 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 123.155 0.285 . . . . 65.02 110.54 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -91.27 55.79 2.93 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.339 0.59 . . . . 63.35 110.953 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -120.81 136.99 54.76 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 72.21 110.308 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.49 122.89 18.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.044 -0.525 . . . . 73.24 111.609 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 9' ' ' GLY . 65.0 mt -79.28 120.36 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 116.088 -0.505 . . . . 73.32 109.934 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -121.38 -174.26 2.81 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.576 -0.738 . . . . 73.25 111.168 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.44 -8.09 0.31 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.765 1.024 . . . . 73.32 113.765 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.435 ' HE2' ' OE1' ' A' ' 103' ' ' GLU . 58.0 t80 -75.66 -10.34 59.36 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.27 0.628 . . . . 62.12 111.35 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.39 156.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.91 0.862 . . . . 64.3 111.717 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.9 mtt -155.91 57.11 0.6 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.191 -1.822 . . . . 73.45 107.332 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.408 HG21 ' HA ' ' A' ' 33' ' ' HIS . 48.8 p -113.02 171.56 7.47 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.023 -1.444 . . . . 74.24 112.106 -176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.36 164.8 11.73 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.551 -0.749 . . . . 73.33 110.164 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -87.69 120.82 29.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.85 0.357 . . . . 74.14 111.331 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -93.31 -178.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.343 -0.844 . . . . 61.35 109.677 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.697 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -47.09 -66.91 0.33 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.83 1.048 . . . . 71.52 113.83 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.5 -44.95 2.44 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.26 0.467 . . . . 64.13 112.26 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -108.4 153.06 23.83 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 74.21 111.79 -178.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 149.69 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.684 -0.689 . . . . 70.13 109.75 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -129.51 148.44 51.41 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.04 -0.527 . . . . 73.03 111.078 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.661 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 12.2 m80 -65.56 160.46 22.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.876 0.47 . . . . 71.24 111.33 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -65.58 -46.75 78.2 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.221 0.326 . . . . 74.42 110.297 178.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.53 -32.14 73.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.529 -0.759 . . . . 72.11 111.558 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.7 m -84.91 -1.02 56.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 50.41 112.052 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -90.74 60.16 4.4 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.521 0.676 . . . . 74.33 110.304 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -120.46 163.24 18.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.234 -0.894 . . . . 61.52 111.637 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 27.4 t -66.13 147.5 53.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.044 -0.526 . . . . 74.45 112.056 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.6 -6.7 56.02 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 44.53 111.102 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.08 -41.14 3.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.787 -0.642 . . . . 62.42 111.64 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.4 m -105.43 -20.12 13.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.397 -0.365 . . . . 72.25 111.951 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.544 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.6 mp0 69.72 1.29 3.34 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.072 0.949 . . . . 74.42 111.974 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -66.36 164.95 15.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.304 0.642 . . . . 63.34 111.395 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -93.29 151.85 19.54 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.37 0.419 . . . . 71.44 111.039 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -98.33 151.11 20.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.663 -0.698 . . . . 74.55 111.112 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 t -120.54 156.25 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.397 -0.82 . . . . 65.21 110.961 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.73 136.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.965 -0.561 . . . . 73.4 111.639 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.91 -27.62 14.18 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.967 -0.56 . . . . 64.22 113.291 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.21 149.88 21.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.381 0.272 . . . . 71.24 111.289 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -85.02 141.21 30.46 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.941 -0.572 . . . . 74.23 111.226 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -128.5 156.16 43.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.046 -0.524 . . . . 65.34 111.421 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tp -113.87 131.02 56.42 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.705 -0.68 . . . . 63.11 109.7 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 tt -94.92 107.0 19.02 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.936 -0.575 . . . . 55.3 110.182 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.81 175.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-N 115.734 -0.666 . . . . 70.24 110.962 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -48.03 -34.74 9.89 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.924 1.083 . . . . 75.13 113.924 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.3 m -120.18 -56.76 1.98 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.955 0.724 . . . . 70.43 112.955 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.4 m-20 -120.27 -164.93 1.13 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.1 0.407 . . . . 75.52 112.1 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 2.5 mp -109.02 142.93 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 122.905 0.482 . . . . 73.24 109.864 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.545 HG21 ' CD1' ' A' ' 68' ' ' TRP . 3.7 t -120.13 127.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.538 0.524 . . . . 72.23 110.099 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.46 158.93 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.984 -0.553 . . . . 72.41 112.201 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.553 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -58.73 -18.1 28.64 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.268 0.84 . . . . 74.23 113.268 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -65.66 -51.8 56.61 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.239 0.459 . . . . 75.13 112.239 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.73 15.12 22.12 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.089 0.403 . . . . 42.3 112.089 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.5 -47.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.055 0.542 . . . . 73.54 112.412 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.13 -50.93 64.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 122.959 0.504 . . . . 70.12 111.907 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 71' ' ' ILE . 8.8 mm-40 -65.04 -43.44 92.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.545 ' CD1' HG21 ' A' ' 60' ' ' VAL . 48.0 t-105 -63.63 -42.41 98.16 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.667 0.387 . . . . 73.13 111.846 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -67.16 -29.2 68.83 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.886 0.474 . . . . 70.34 111.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -59.04 -45.79 89.86 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.175 -0.92 . . . . 73.44 111.737 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.3 mp -85.04 -47.33 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.046 -0.524 . . . . 74.41 111.214 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -78.22 5.19 10.81 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.857 0.688 . . . . 73.23 112.857 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -146.58 -151.82 5.5 Favored Glycine 0 C--N 1.338 0.658 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.616 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 153.83 -138.82 6.45 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.395 -0.431 . . . . 61.03 112.471 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 p -100.61 148.85 24.37 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.672 0.278 . . . . 52.4 111.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.03 -108.14 2.95 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 115.789 -0.641 . . . . 63.22 112.544 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.49 -145.46 4.41 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.482 -0.39 . . . . 75.05 112.507 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.0 m -100.71 140.52 34.87 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 123.616 0.245 . . . . 62.24 110.947 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.54 -60.84 0.52 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.901 -0.59 . . . . 42.13 112.537 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.82 115.43 0.7 Allowed Glycine 0 C--N 1.337 0.605 0 C-N-CA 121.428 -0.415 . . . . 70.3 112.444 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.6 m -100.75 131.97 46.38 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.285 0.234 . . . . 75.44 110.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.24 110.36 0.44 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.89 -0.595 . . . . 73.23 112.499 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.84 126.7 8.79 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.544 -0.36 . . . . 72.21 112.493 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.99 141.77 33.41 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.633 0.255 . . . . 73.24 110.89 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.51 143.4 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 115.929 -0.578 . . . . 64.22 109.95 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.05 149.18 42.6 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.662 0.601 . . . . 73.44 111.103 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.39 152.12 3.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.72 -0.673 . . . . 61.23 110.696 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.33 110.42 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.24 -0.436 . . . . 74.03 110.461 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 153.53 51.65 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 115.621 -0.718 . . . . 65.22 113.864 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.93 113.26 11.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 122.92 0.488 . . . . 70.12 111.557 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.03 157.85 46.76 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.511 2.141 . . . . 72.51 113.035 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.4 p -107.4 115.04 29.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.988 -0.551 . . . . 74.13 111.062 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.94 150.63 48.32 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.755 -0.657 . . . . 74.54 111.895 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -65.86 -44.16 86.23 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.941 -0.572 . . . . 54.23 111.797 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.0 100.42 2.11 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.421 0.451 . . . . 64.12 112.61 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.68 -80.78 0.17 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.389 -0.434 . . . . 74.41 112.597 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.33 147.7 25.5 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.327 0.251 . . . . 65.14 110.96 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -99.93 -43.23 6.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.883 -0.599 . . . . 72.24 111.188 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.82 -174.09 29.29 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.459 0.475 . . . . 61.51 112.652 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.36 86.64 2.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.317 0.579 . . . . 72.42 110.689 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.27 -30.89 19.32 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.327 -0.852 . . . . 62.44 112.071 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.45 -16.54 42.2 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.383 0.512 . . . . 61.45 112.383 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' OE1' ' HE2' ' A' ' 21' ' ' TYR . 3.0 tp10 -84.84 -2.84 58.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.22 0.325 . . . . 75.34 111.768 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -88.42 -15.11 36.31 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.457 -0.338 . . . . 72.2 111.739 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.493 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.6 tt -93.93 -32.82 13.73 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 123.302 0.376 . . . . 75.13 111.052 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.9 pp 44.62 107.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 124.935 1.294 . . . . 42.53 113.991 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.2 p -109.29 153.29 24.08 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.556 -0.747 . . . . 74.35 110.938 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.38 -48.09 5.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.498 0.499 . . . . 72.22 111.546 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp 63.33 148.75 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.958 0.903 . . . . 63.32 112.154 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.28 113.53 26.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.835 -0.621 . . . . 74.13 110.78 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 150.99 48.1 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.788 -0.642 . . . . 73.5 110.644 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -101.47 137.76 39.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.817 -0.628 . . . . 73.42 110.952 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -128.91 132.97 47.73 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.972 -0.558 . . . . 53.12 110.993 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -130.2 148.0 51.99 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.765 -0.652 . . . . 72.15 110.795 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.58 134.82 42.98 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.86 -0.609 . . . . 75.03 110.784 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.11 148.21 29.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.831 -0.622 . . . . 71.34 111.1 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.71 -42.5 7.2 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.887 -0.597 . . . . 72.43 111.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -119.19 137.85 53.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.305 -0.407 . . . . 73.4 110.938 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 142.86 86.61 0.09 OUTLIER Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.812 -0.631 . . . . 71.42 112.449 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -110.5 141.23 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 123.631 0.253 . . . . 71.42 111.321 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.98 135.55 51.33 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.885 -0.598 . . . . 74.34 110.908 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.43 131.45 48.44 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.649 0.593 . . . . 75.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.144 -0.932 . . . . 75.3 111.14 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.509 0.195 . . . . 74.15 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.77 124.06 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.875 0.87 . . . . 73.21 112.119 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -65.7 134.2 52.71 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.839 -0.619 . . . . 71.34 111.926 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 5' ' ' PHE . 1.6 tt -130.0 144.96 51.61 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.983 -0.553 . . . . 73.23 110.607 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.473 ' N ' HD23 ' A' ' 4' ' ' LEU . 86.2 m-85 -132.64 150.46 52.15 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.944 -0.571 . . . . 72.22 111.17 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.08 144.75 3.99 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.76 -0.655 . . . . 72.24 112.174 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.501 ' NE2' HG22 ' A' ' 18' ' ' ILE . 28.4 mt-30 -99.7 150.7 22.03 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.957 0.408 . . . . 74.33 111.61 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 110' ' ' GLU . 18.8 m-20 -105.31 -10.61 16.91 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.112 -0.949 . . . . 71.04 111.132 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.549 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -92.12 87.72 1.3 Allowed Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.155 -0.475 . . . . 63.22 112.371 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.66 158.59 34.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.16 0.584 . . . . 75.44 111.929 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 35.5 t -78.23 116.43 18.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.004 -0.544 . . . . 74.54 111.961 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.24 63.91 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.055 1.131 . . . . 62.14 114.055 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.2 p -94.41 -53.9 3.74 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.929 0.715 . . . . 73.32 112.929 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 p -95.9 -1.88 48.4 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.366 0.506 . . . . 65.02 112.366 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.78 35.38 26.15 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.644 0.778 . . . . 63.35 112.021 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -117.44 152.27 35.37 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.913 -0.585 . . . . 72.21 110.328 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -65.3 130.77 44.54 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.706 -0.679 . . . . 73.24 112.278 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.643 ' HA ' ' HE2' ' A' ' 33' ' ' HIS . 16.8 mt -80.11 126.59 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 115.486 -0.779 . . . . 73.32 110.151 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -110.49 -177.39 3.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.79 -0.641 . . . . 73.25 111.868 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.55 66.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.701 0.63 . . . . 73.32 112.701 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.86 -32.22 73.61 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.893 0.477 . . . . 62.12 111.435 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.595 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.9 mm-40 -70.72 -18.59 62.79 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.297 0.851 . . . . 64.3 113.297 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.7 mtm 36.62 97.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.743 0.817 . . . . 73.45 111.853 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 32' ' ' TYR . 17.7 p -103.69 150.11 24.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 74.24 112.271 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -100.58 158.92 15.57 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.689 -1.142 . . . . 73.33 110.141 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.74 108.44 16.79 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.044 0.449 . . . . 74.14 110.201 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.9 t -100.27 171.34 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.343 -0.844 . . . . 61.35 109.692 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' H ' HG12 ' A' ' 27' ' ' VAL . 89.3 mttt -53.85 -62.72 1.47 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.588 0.958 . . . . 71.52 113.588 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.48 -42.77 2.53 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.941 0.719 . . . . 64.13 112.941 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 69.9 mttt -115.41 139.14 50.28 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.41 0.522 . . . . 74.21 112.41 -177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 t -100.85 147.15 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.833 -0.803 . . . . 70.13 108.833 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' ' 24' ' ' THR . 30.7 m-85 -134.32 151.49 51.27 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.478 0.548 . . . . 73.03 112.478 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.713 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 29.0 m80 -65.69 162.56 18.26 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.485 -0.779 . . . . 71.24 111.286 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 22' ' ' GLU . 4.1 pp -65.91 -47.46 74.67 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 117.65 0.204 . . . . 74.42 110.776 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' HD12 ' A' ' 34' ' ' LEU . 43.6 mt-10 -65.52 -23.33 66.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.097 -0.501 . . . . 72.11 111.645 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.713 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.1 m -91.3 -5.2 55.01 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.974 -0.557 . . . . 50.41 111.399 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -105.42 55.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.406 0.622 . . . . 74.33 110.072 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -120.82 159.18 25.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.41 -0.814 . . . . 61.52 111.733 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 48.6 t -66.13 147.26 53.61 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.871 -0.604 . . . . 74.45 112.037 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.02 -7.64 42.15 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.812 -0.631 . . . . 44.53 112.119 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.5 -50.63 3.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.092 0.404 . . . . 62.42 112.092 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.8 p -109.35 -4.25 16.53 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.897 0.332 . . . . 72.25 111.897 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 64.92 10.39 6.15 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.133 0.973 . . . . 74.42 113.097 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.7 tttt -65.9 162.47 19.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.685 0.394 . . . . 63.34 111.392 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -96.82 152.89 18.25 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.998 -0.546 . . . . 71.44 110.954 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -100.56 145.45 28.32 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 74.55 111.196 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.8 m -120.79 162.3 20.01 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.09 -0.959 . . . . 65.21 111.384 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.74 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.096 0.559 . . . . 73.4 112.355 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.02 -31.92 8.08 Favored Glycine 0 C--N 1.338 0.68 0 CA-C-N 115.989 -0.55 . . . . 64.22 113.407 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.68 150.36 20.73 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.661 0.267 . . . . 71.24 111.349 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.55 144.42 26.34 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.76 -0.654 . . . . 74.23 111.058 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.13 154.71 41.03 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.505 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -111.73 130.0 55.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.625 -0.716 . . . . 63.11 109.777 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -95.01 111.5 23.3 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.96 -0.563 . . . . 55.3 110.36 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -88.88 176.14 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.767 -0.651 . . . . 70.24 110.804 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -47.78 -34.62 8.76 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.851 1.056 . . . . 75.13 113.851 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 55' ' ' ILE . 55.9 p -120.12 -56.9 1.98 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.851 0.685 . . . . 70.43 112.851 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.608 ' O ' HG22 ' A' ' 55' ' ' ILE . 5.8 m-20 -120.3 -163.5 1.01 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.102 0.408 . . . . 75.52 112.102 -178.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -110.27 143.27 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 122.823 0.449 . . . . 73.24 109.941 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 7.8 t -120.35 130.13 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.103 -0.499 . . . . 72.23 110.162 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.0 p -65.47 158.02 27.96 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.98 -0.554 . . . . 72.41 112.338 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.666 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.2 mt-10 -60.04 -22.74 63.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.058 0.543 . . . . 74.23 111.802 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.08 -40.37 86.96 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.166 -0.47 . . . . 75.13 111.559 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -110.04 4.83 21.67 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.643 0.609 . . . . 42.3 112.643 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.54 -54.0 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 113.191 0.811 . . . . 73.54 113.191 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.8 t80 -59.77 -53.06 62.36 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.607 0.595 . . . . 70.12 112.607 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.593 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.3 mt-10 -65.23 -40.62 94.3 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.758 0.651 . . . . 63.44 112.758 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.0 t-105 -65.45 -50.56 64.93 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.448 0.299 . . . . 73.13 111.615 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.7 p -63.56 -29.15 70.45 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.112 0.482 . . . . 70.34 111.072 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 44.4 tttt -65.12 -43.05 93.22 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.991 -1.004 . . . . 73.44 111.776 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.0 mm -84.74 -47.06 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.822 -0.627 . . . . 74.41 111.879 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -77.31 -30.01 53.93 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.768 0.655 . . . . 73.23 112.768 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.09 167.05 12.79 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.325 -0.464 . . . . 72.21 112.758 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.31 -125.96 5.72 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 121.473 -0.394 . . . . 61.03 112.481 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 t -127.22 -43.8 1.62 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.631 0.253 . . . . 52.4 111.107 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.12 124.14 5.1 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 116.304 -0.407 . . . . 63.22 112.465 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.15 126.68 1.85 Allowed Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.408 -0.425 . . . . 75.05 112.467 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.7 m 62.75 126.34 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.958 0.903 . . . . 62.24 112.1 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.89 -107.01 1.52 Allowed Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.762 -0.654 . . . . 42.13 112.503 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -148.19 119.74 1.12 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.485 -0.388 . . . . 70.3 112.512 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.2 m -127.95 130.94 49.24 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.588 0.229 . . . . 75.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -162.18 148.37 15.52 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 115.943 -0.572 . . . . 73.23 112.539 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.98 129.22 8.96 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.488 -0.387 . . . . 72.21 112.51 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -127.72 136.35 51.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.347 0.259 . . . . 73.24 110.515 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.37 148.6 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.887 -0.597 . . . . 64.22 110.022 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.09 143.08 48.33 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.677 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.6 t -99.69 136.86 29.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 123.49 0.494 . . . . 61.23 110.432 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.65 109.93 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 116.321 -0.4 . . . . 74.03 111.024 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.59 162.57 44.56 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 115.736 -0.665 . . . . 65.22 113.789 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.0 129.8 93.97 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.955 0.502 . . . . 70.12 112.063 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.47 141.55 31.72 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.354 2.036 . . . . 72.51 112.621 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 p -120.44 111.66 17.99 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.381 0.426 . . . . 74.13 111.447 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.08 116.51 7.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.959 -0.564 . . . . 74.54 111.793 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -66.21 -45.34 81.07 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.644 -0.707 . . . . 54.23 112.014 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.64 -95.47 0.16 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 116.135 -0.484 . . . . 64.12 112.381 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.89 105.94 0.86 Allowed Glycine 0 C--N 1.337 0.639 0 C-N-CA 121.376 -0.44 . . . . 74.41 112.597 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 5' ' ' PHE . 17.8 mm-40 -133.59 154.38 50.92 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.412 0.285 . . . . 65.14 111.053 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.57 3.13 56.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.939 -0.573 . . . . 72.24 111.799 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.46 110.21 3.69 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 121.53 -0.366 . . . . 61.51 112.91 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -129.51 14.44 6.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.789 0.328 . . . . 72.42 111.394 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -87.87 -18.97 28.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.196 -0.456 . . . . 62.44 111.982 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.55 -18.85 34.36 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.168 0.432 . . . . 61.45 112.168 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.15 -23.87 26.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.059 0.392 . . . . 75.34 112.059 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -93.36 -14.34 26.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.32 -0.4 . . . . 72.2 111.625 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.18 -9.98 37.41 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.289 0.368 . . . . 75.13 111.755 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 mt 65.92 121.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.661 0.784 . . . . 42.53 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 p -139.94 -25.69 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.837 -0.619 . . . . 74.35 111.69 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 64.67 127.01 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.986 0.914 . . . . 72.22 111.902 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.24 -13.88 3.89 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.741 -0.663 . . . . 63.32 111.794 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' HG3' ' OD1' ' A' ' 8' ' ' ASP . 42.4 mt-10 -74.7 125.93 29.77 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.138 -1.392 . . . . 74.13 111.789 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -130.15 159.65 36.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.549 -0.75 . . . . 73.5 110.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.6 p -90.05 118.62 29.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.067 -0.515 . . . . 73.42 111.339 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -131.18 150.37 52.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.714 -0.675 . . . . 53.12 110.86 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -100.35 143.37 30.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.847 -0.615 . . . . 72.15 110.787 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -127.83 145.18 51.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.826 -0.625 . . . . 75.03 110.855 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -118.01 134.47 54.94 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.917 -0.583 . . . . 71.34 111.191 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.15 -42.72 6.59 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.863 -0.608 . . . . 72.43 111.42 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -108.64 143.85 37.16 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.401 0.438 . . . . 73.4 110.849 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 120' ' ' ILE . . . -109.4 -150.37 13.53 Favored Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.876 -0.602 . . . . 71.42 112.493 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 119' ' ' GLY . 2.1 pt 40.48 100.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.72 1.208 . . . . 71.42 113.798 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -122.25 127.15 49.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.647 -0.706 . . . . 74.34 111.028 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 62.79 125.86 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.955 0.902 . . . . 75.0 112.033 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.48 -0.772 . . . . 75.3 110.804 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.551 0.215 . . . . 74.15 110.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.1 142.64 50.58 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.931 -0.577 . . . . 73.21 110.883 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.69 150.38 48.57 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.903 -0.589 . . . . 71.34 111.858 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -116.95 149.96 39.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.847 -0.615 . . . . 73.23 110.975 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.75 150.08 48.01 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.886 -0.597 . . . . 72.22 110.894 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.86 -129.72 2.54 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.912 -0.585 . . . . 72.24 112.626 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 39.8 mt-30 -96.05 155.58 16.69 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.705 0.288 . . . . 74.33 111.338 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -99.69 -13.15 19.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.668 -0.696 . . . . 71.04 111.984 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.545 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -93.2 77.6 1.12 Allowed Glycine 0 C--N 1.341 0.817 0 C-N-CA 121.308 -0.472 . . . . 63.22 112.951 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.47 ' HA ' ' H ' ' A' ' 18' ' ' ILE . 4.0 pp -77.03 160.45 29.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.928 0.491 . . . . 75.44 111.676 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 18.7 t -57.53 136.83 56.76 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.141 0.793 . . . . 74.54 113.141 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.2 -30.15 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.758 -1.11 . . . . 62.14 111.537 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.1 t -93.45 -46.44 7.32 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.736 -0.666 . . . . 73.32 110.616 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.3 m -98.66 133.73 42.58 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 123.364 0.415 . . . . 65.02 110.236 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.13 50.74 1.8 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.508 0.671 . . . . 63.35 109.384 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -120.85 130.06 53.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.128 -0.942 . . . . 72.21 110.656 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HA ' ' HB3' ' A' ' 10' ' ' LEU . 32.7 ptt180 -58.36 107.44 0.49 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.691 0.619 . . . . 73.24 111.154 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.545 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 10.0 mt -56.34 98.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-N 115.675 -0.693 . . . . 73.32 110.136 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 20' ' ' ALA . 18.1 ttp180 -148.09 175.94 10.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.189 -0.914 . . . . 73.25 111.629 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . 56.1 -77.93 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.846 1.258 . . . . 73.32 113.915 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -80.06 -64.18 1.24 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 122.319 0.247 . . . . 62.12 111.056 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER 33.55 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.703 1.201 . . . . 64.3 113.817 -179.593 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.558 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 19.7 mmt 42.35 45.16 3.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.319 1.048 . . . . 73.45 112.609 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -113.13 173.41 6.4 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.21 -0.905 . . . . 74.24 111.385 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -109.79 146.23 35.35 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.556 -0.747 . . . . 73.33 110.193 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -77.95 119.04 20.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.063 -0.517 . . . . 74.14 111.58 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.5 t -86.22 -178.92 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.437 -0.801 . . . . 61.35 109.862 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.634 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -47.78 -66.51 0.39 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.496 0.925 . . . . 71.52 113.496 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.74 -38.75 2.81 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.107 0.41 . . . . 64.13 112.107 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 79.5 mttt -102.31 152.72 20.74 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.013 0.375 . . . . 74.21 112.013 -178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 p -118.58 141.99 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.796 -0.638 . . . . 70.13 109.765 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 42.4 m-85 -135.26 152.58 51.66 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.25 0.343 . . . . 73.03 111.603 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.86 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 23.9 m80 -65.47 168.16 7.71 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.111 -0.495 . . . . 71.24 110.34 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.69 -49.81 73.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.714 0.292 . . . . 74.42 110.608 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.79 -23.23 66.04 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.588 -0.733 . . . . 72.11 111.683 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.86 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 35.1 m -86.36 -1.57 57.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.643 -0.708 . . . . 50.41 112.088 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -95.54 54.82 1.62 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.554 0.692 . . . . 74.33 109.611 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.6 ' NZ ' HE22 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -121.72 159.86 25.72 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.213 -0.903 . . . . 61.52 112.216 -179.147 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 7.6 t -66.38 147.21 53.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.671 -0.695 . . . . 74.45 111.563 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.97 -9.16 28.83 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.17 -0.468 . . . . 44.53 111.994 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.32 -50.52 4.09 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.785 0.291 . . . . 62.42 111.785 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.5 p -106.39 -5.79 18.74 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.647 0.24 . . . . 72.25 111.647 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.6 HE22 ' NZ ' ' A' ' 38' ' ' LYS . 21.8 mm-40 65.86 8.96 5.69 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.315 1.046 . . . . 74.42 113.055 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 60.2 tttt -66.08 161.67 21.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.647 0.379 . . . . 63.34 111.428 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -102.87 147.13 27.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.998 -0.547 . . . . 71.44 110.772 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -99.81 143.81 29.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.755 -0.657 . . . . 74.55 110.811 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 p -120.57 162.16 20.1 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 65.21 111.026 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.53 130.76 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 116.142 -0.481 . . . . 73.4 111.928 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.11 -14.87 36.88 Favored Glycine 0 C--N 1.337 0.596 0 O-C-N 123.636 0.585 . . . . 64.22 113.092 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.57 149.8 23.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.642 0.258 . . . . 71.24 110.842 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -86.63 136.88 32.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.906 -0.588 . . . . 74.23 111.236 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -128.72 155.82 44.47 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.03 -0.532 . . . . 65.34 111.405 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -119.99 121.2 38.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.51 -0.768 . . . . 63.11 109.381 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -86.29 115.31 23.75 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.912 -0.586 . . . . 55.3 111.015 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.47 176.37 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.404 -0.817 . . . . 70.24 110.597 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.421 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.3 m-80 -47.82 -34.92 9.32 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.679 0.992 . . . . 75.13 113.679 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.527 ' H ' HG23 ' A' ' 55' ' ' ILE . 51.4 m -111.18 -67.72 0.98 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.578 0.584 . . . . 70.43 112.578 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.588 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.45 -165.09 1.15 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.992 0.367 . . . . 75.52 111.992 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -94.47 135.37 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 122.864 0.466 . . . . 73.24 110.417 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.79 122.69 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.005 -0.543 . . . . 72.23 110.342 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.13 160.86 20.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.054 0.541 . . . . 72.41 112.043 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 65' ' ' ILE . 42.8 mt-10 -64.12 -18.91 64.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.989 -0.551 . . . . 74.23 112.11 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -66.81 -44.76 80.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.336 -0.393 . . . . 75.13 111.829 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.9 13.19 22.2 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.352 0.501 . . . . 42.3 112.352 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -59.32 -54.02 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 112.771 0.656 . . . . 73.54 112.771 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.64 -52.35 66.06 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.152 0.581 . . . . 70.12 112.344 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.0 mt-10 -63.73 -41.0 98.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.665 0.617 . . . . 63.44 112.665 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.1 -50.82 64.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.564 0.346 . . . . 73.13 111.368 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.2 p -62.85 -29.08 70.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.964 0.506 . . . . 70.34 111.288 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 32.2 tttp -65.27 -38.53 90.57 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.113 -0.949 . . . . 73.44 112.801 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 67' ' ' GLU . 4.7 mt -84.15 -48.08 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 113.238 0.829 . . . . 74.41 113.238 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.07 -30.17 15.42 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.332 0.864 . . . . 73.23 113.332 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.69 155.01 8.76 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.974 -0.631 . . . . 72.21 112.719 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.82 -52.52 0.06 OUTLIER Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.57 -0.348 . . . . 61.03 112.419 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m 62.91 126.14 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.012 0.925 . . . . 52.4 112.112 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 81' ' ' SER . . . -141.56 -130.52 2.56 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.749 -0.66 . . . . 63.22 112.551 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.48 -96.2 0.19 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 121.455 -0.402 . . . . 75.05 112.511 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.1 m -98.52 139.81 33.71 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 122.348 0.259 . . . . 62.24 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.91 -107.26 2.85 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.894 -0.594 . . . . 42.13 112.485 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.93 -123.44 5.26 Favored Glycine 0 C--N 1.338 0.67 0 C-N-CA 121.452 -0.404 . . . . 70.3 112.54 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.444 ' O ' ' HA3' ' A' ' 76' ' ' GLY . 46.5 p -99.07 -41.94 7.31 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.318 0.247 . . . . 75.44 111.412 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -126.49 -63.43 0.15 Allowed Glycine 0 C--N 1.341 0.806 0 O-C-N 123.491 0.495 . . . . 73.23 112.427 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.71 -138.39 2.46 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.477 -0.392 . . . . 72.21 112.445 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -101.45 139.92 36.46 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.607 0.241 . . . . 73.24 110.742 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.27 139.48 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 115.803 -0.635 . . . . 64.22 109.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 89.7 mtp -119.95 150.21 40.88 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.934 -0.575 . . . . 73.44 111.232 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.69 146.01 6.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.805 -0.634 . . . . 61.23 110.399 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.44 109.44 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 123.336 0.398 . . . . 74.03 111.005 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.4 162.99 46.58 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 115.594 -0.73 . . . . 65.22 113.423 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.05 156.92 82.88 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.105 -0.474 . . . . 70.12 111.59 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.558 ' HB3' ' O ' ' A' ' 23' ' ' MET . 4.4 Cg_exo -77.64 139.37 17.94 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.42 2.08 . . . . 72.51 112.58 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.17 111.46 17.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.072 -0.513 . . . . 74.13 111.217 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.4 pp -66.15 129.75 40.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.728 -0.669 . . . . 74.54 112.062 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 66.5 mtt 40.86 102.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.689 1.196 . . . . 54.23 113.577 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.24 -149.0 18.91 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.597 -0.729 . . . . 64.12 112.537 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.57 -110.96 0.27 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 121.416 -0.421 . . . . 74.41 112.573 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -99.7 149.73 23.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.332 0.253 . . . . 65.14 110.998 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -99.75 -43.0 6.61 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.781 -0.645 . . . . 72.24 111.213 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.86 75.07 0.05 OUTLIER Glycine 0 C--N 1.341 0.837 0 C-N-CA 121.38 -0.438 . . . . 61.51 112.537 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -128.32 11.16 6.36 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.797 0.332 . . . . 72.42 111.388 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.03 -24.89 23.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.011 -0.541 . . . . 62.44 111.884 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.49 -22.38 30.25 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.102 0.408 . . . . 61.45 112.102 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -87.16 -37.15 17.58 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.25 0.344 . . . . 75.34 111.643 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.11 13.18 21.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.394 0.434 . . . . 72.2 111.697 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.7 tt -90.0 -43.45 10.53 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.405 -0.361 . . . . 75.13 111.237 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.407 ' H ' HG13 ' A' ' 106' ' ' ILE . 1.4 pp -99.67 109.13 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 123.321 0.388 . . . . 42.53 111.23 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.0 p -145.15 152.27 39.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.636 -0.711 . . . . 74.35 111.048 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -100.55 128.92 46.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.862 -0.608 . . . . 72.22 110.708 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.54 150.64 40.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.859 -0.61 . . . . 63.32 111.039 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.95 151.77 20.53 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.807 -0.633 . . . . 74.13 110.892 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -96.75 145.32 25.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.92 -0.582 . . . . 73.5 110.712 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.6 p 41.99 -177.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.817 1.247 . . . . 73.42 114.22 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -130.73 -43.37 1.11 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.218 -0.446 . . . . 53.12 111.165 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -109.32 127.27 54.18 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.378 0.424 . . . . 72.15 110.812 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -132.44 140.3 48.37 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.866 -0.606 . . . . 75.03 110.788 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.12 126.51 50.33 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 71.34 111.022 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.67 -42.91 5.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.848 -0.614 . . . . 72.43 111.522 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -100.38 147.08 26.22 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.416 0.448 . . . . 73.4 111.015 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -151.83 103.03 0.23 Allowed Glycine 0 C--N 1.337 0.586 0 CA-C-N 115.83 -0.623 . . . . 71.42 112.45 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.432 ' H ' HG13 ' A' ' 120' ' ' ILE . 2.1 pp -107.43 149.54 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.639 0.258 . . . . 71.42 111.365 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -128.21 131.18 48.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.923 -0.58 . . . . 74.34 110.76 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -99.73 -42.61 6.78 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.857 -0.61 . . . . 75.0 111.182 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.485 -0.769 . . . . 75.3 110.773 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.477 ' CD2' ' HG ' ' A' ' 2' ' ' LEU . 26.8 p90 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 111.707 0.262 . . . . 74.15 111.707 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 1' ' ' TYR . 13.8 mt -94.87 135.41 36.4 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.332 0.395 . . . . 73.21 111.021 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 41.03 104.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.685 1.194 . . . . 71.34 113.603 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD11 ' NH1' ' A' ' 17' ' ' ARG . 3.2 pp -86.95 153.31 21.68 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.562 -0.744 . . . . 73.23 111.473 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -97.76 149.81 21.91 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.911 -0.586 . . . . 72.22 111.279 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.62 -159.75 31.22 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.803 -0.635 . . . . 72.24 112.624 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 19' ' ' ARG . 38.0 mt-30 -103.1 155.57 18.3 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.753 0.311 . . . . 74.33 111.211 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.02 -10.5 16.54 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.578 -0.737 . . . . 71.04 111.989 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.649 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -78.0 64.46 3.39 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 121.557 -0.354 . . . . 63.22 113.579 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -55.75 158.55 3.54 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.368 0.667 . . . . 75.44 111.903 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -74.12 133.8 42.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.972 0.415 . . . . 74.54 111.25 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.19 -24.08 66.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.526 -0.761 . . . . 62.14 111.563 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 t -97.28 -46.24 6.19 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.739 -0.664 . . . . 73.32 110.814 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.76 148.16 25.61 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.36 0.412 . . . . 65.02 110.982 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.87 46.42 1.36 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 108.578 -0.897 . . . . 63.35 108.578 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' HD23 ' A' ' 10' ' ' LEU . 87.3 tttt -120.12 135.88 54.8 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.443 -1.253 . . . . 72.21 110.533 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.42 ' NH1' HD11 ' A' ' 4' ' ' LEU . 64.2 mtt180 -65.66 119.15 10.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.9 -0.591 . . . . 73.24 110.742 178.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.649 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 13.0 mt -71.54 97.9 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.128 0.49 . . . . 73.32 109.808 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.557 HH21 HH22 ' A' ' 104' ' ' ARG . 28.5 ptt180 -148.27 171.8 15.38 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.171 -0.922 . . . . 73.25 111.979 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 56.3 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.805 1.242 . . . . 73.32 113.835 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.9 t80 -76.84 -60.44 2.36 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.54 0.336 . . . . 62.12 110.742 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.655 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 30.38 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.276 1.43 . . . . 64.3 114.817 179.051 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.5 mtt 49.53 40.69 19.84 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.139 0.976 . . . . 73.45 112.538 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -116.44 169.02 9.64 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.56 -0.746 . . . . 74.24 111.611 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.25 167.27 9.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.44 -0.8 . . . . 73.33 110.928 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -86.75 122.55 30.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.337 -0.392 . . . . 74.14 111.364 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -97.08 -179.02 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.683 -0.69 . . . . 61.35 109.474 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.694 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.4 mttt -48.39 -66.82 0.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.773 1.027 . . . . 71.52 113.773 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.38 -42.74 2.54 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.466 0.543 . . . . 64.13 112.466 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 73.5 mttt -108.64 153.93 22.71 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.269 0.355 . . . . 74.21 111.655 -178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -112.67 138.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.9 -0.591 . . . . 70.13 109.817 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 32.9 m-85 -117.85 150.44 39.17 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.052 -0.522 . . . . 73.03 111.137 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.84 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 18.1 m80 -65.58 164.18 14.71 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.735 -0.469 . . . . 71.24 109.735 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 22' ' ' GLU . 2.8 pp -65.21 -47.61 76.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.696 0.225 . . . . 74.42 110.683 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.54 -24.88 66.43 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.962 -0.563 . . . . 72.11 111.385 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.84 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 37.0 m -86.26 -5.28 59.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.754 -0.657 . . . . 50.41 112.316 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -94.07 55.29 2.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.517 0.675 . . . . 74.33 110.388 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -121.37 160.73 23.43 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.183 -0.917 . . . . 61.52 111.747 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 23.3 t -66.15 146.95 54.05 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.215 0.606 . . . . 74.45 111.656 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.97 -6.52 38.78 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.433 0.458 . . . . 44.53 112.08 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.84 -48.99 3.91 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.911 0.337 . . . . 62.42 111.911 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 25.9 p -110.0 -4.2 16.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.752 0.279 . . . . 72.25 111.752 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 65.0 11.81 7.39 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.157 0.983 . . . . 74.42 113.079 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.0 tttt -65.94 162.4 19.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.56 0.344 . . . . 63.34 111.33 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -101.58 151.41 22.02 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.029 -0.532 . . . . 71.44 110.902 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -104.98 136.59 44.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.73 -0.668 . . . . 74.55 111.015 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.57 165.48 14.95 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.294 -0.866 . . . . 65.21 111.07 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.68 140.57 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 122.934 0.494 . . . . 73.4 111.616 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.07 -33.97 5.92 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 115.935 -0.575 . . . . 64.22 113.133 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.58 152.39 19.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.326 0.25 . . . . 71.24 111.277 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -88.22 142.92 27.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.4 153.56 46.95 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.066 -0.515 . . . . 65.34 111.314 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 tt -116.23 126.26 53.37 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.52 -0.763 . . . . 63.11 109.663 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -89.26 113.63 24.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.907 -0.588 . . . . 55.3 110.748 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.13 176.42 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-N 115.518 -0.764 . . . . 70.24 110.652 179.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -47.77 -33.94 7.83 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.882 1.067 . . . . 75.13 113.882 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.2 m -120.03 -57.88 1.91 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.852 0.686 . . . . 70.43 112.852 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.33 -163.12 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.025 0.38 . . . . 75.52 112.025 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -105.52 138.68 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 122.86 0.464 . . . . 73.24 110.045 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 68' ' ' TRP . 17.0 t -120.78 126.61 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 123.517 0.511 . . . . 72.23 110.384 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.25 159.36 23.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.885 -0.598 . . . . 72.41 111.929 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.652 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.9 tt0 -63.11 -20.48 65.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.914 0.485 . . . . 74.23 111.647 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -67.02 -41.7 86.17 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.762 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.4 6.09 21.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.643 0.608 . . . . 42.3 112.643 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.21 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 113.223 0.823 . . . . 73.54 113.223 -178.502 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.0 t80 -58.82 -53.23 60.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.07 0.548 . . . . 70.12 112.478 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.599 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.12 -39.84 93.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.778 0.659 . . . . 63.44 112.778 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.467 ' CD1' HG21 ' A' ' 60' ' ' VAL . 58.1 t-105 -65.5 -51.3 61.04 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.633 0.373 . . . . 73.13 111.76 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 p -64.33 -29.42 70.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.059 0.457 . . . . 70.34 111.367 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 31.6 tttp -65.56 -41.43 92.97 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.05 -0.977 . . . . 73.44 112.011 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.599 HG12 ' O ' ' A' ' 67' ' ' GLU . 14.0 mm -84.73 -46.95 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.09 -0.505 . . . . 74.41 111.702 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -76.81 -29.83 56.16 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.698 0.629 . . . . 73.23 112.698 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.78 -106.72 2.78 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.353 -0.451 . . . . 72.21 112.532 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.23 149.79 21.52 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.406 -0.426 . . . . 61.03 112.56 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.5 p -120.52 142.97 48.83 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.688 0.287 . . . . 52.4 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.4 -149.38 21.49 Favored Glycine 0 C--N 1.337 0.601 0 O-C-N 123.697 0.623 . . . . 63.22 112.488 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.11 55.34 0.35 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 121.403 -0.427 . . . . 75.05 112.507 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.4 p -100.61 -42.79 6.4 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.616 0.245 . . . . 62.24 111.271 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.47 84.53 1.31 Allowed Glycine 0 C--N 1.339 0.749 0 O-C-N 123.45 0.469 . . . . 42.13 112.513 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.88 -149.34 23.12 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 121.432 -0.414 . . . . 70.3 112.519 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.1 t -127.93 144.33 51.1 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.688 0.287 . . . . 75.44 110.724 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.29 -99.61 2.39 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.819 -0.628 . . . . 73.23 112.492 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 176.27 -149.78 10.09 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.429 -0.415 . . . . 72.21 112.527 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -121.72 144.48 48.77 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.624 0.249 . . . . 73.24 110.845 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.1 t -102.65 134.48 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 115.97 -0.559 . . . . 64.22 110.065 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -120.14 153.89 35.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.663 -0.699 . . . . 73.44 110.895 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.16 149.97 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.983 -0.553 . . . . 61.23 110.538 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.14 110.27 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.893 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.04 151.01 52.02 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 115.629 -0.714 . . . . 65.22 113.751 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.98 116.75 35.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 122.922 0.489 . . . . 70.12 111.616 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.9 152.97 80.03 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.511 2.141 . . . . 72.51 112.965 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -107.46 121.45 44.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.879 -0.6 . . . . 74.13 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.82 151.15 47.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.865 -0.607 . . . . 74.54 111.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.7 mmt 41.09 104.41 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.711 1.204 . . . . 54.23 113.585 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.88 55.03 0.56 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.534 -0.757 . . . . 64.12 112.42 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.93 151.72 5.59 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.515 -0.374 . . . . 74.41 112.51 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -124.11 150.31 45.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.716 0.293 . . . . 65.14 111.068 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 48.73 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.395 1.078 . . . . 72.24 112.685 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -127.16 -163.31 11.41 Favored Glycine 0 C--O 1.235 0.207 0 CA-C-N 114.319 -1.309 . . . . 61.51 112.543 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -133.87 85.65 2.22 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.285 0.564 . . . . 72.42 110.623 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -88.43 -32.92 18.07 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.377 -0.829 . . . . 62.44 111.968 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -84.39 -27.3 27.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.111 0.411 . . . . 61.45 112.111 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -87.07 -27.7 22.99 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.79 0.293 . . . . 75.34 111.79 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.557 HH22 HH21 ' A' ' 19' ' ' ARG . 79.2 mtp180 -92.15 -4.24 54.52 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.335 0.397 . . . . 72.2 111.904 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.6 tt -92.56 -43.48 9.12 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.532 -0.304 . . . . 75.13 111.144 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -99.06 125.77 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.324 0.39 . . . . 42.53 111.374 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.6 p -139.06 139.39 37.76 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.879 -0.6 . . . . 74.35 110.994 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -99.38 -43.3 6.62 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.953 -0.567 . . . . 72.22 111.272 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.2 146.58 45.07 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.289 0.368 . . . . 63.32 110.905 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.04 23.75 6.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.876 -0.602 . . . . 74.13 111.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.41 131.84 47.31 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.846 -0.615 . . . . 73.5 110.852 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -103.77 143.48 32.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.925 -0.58 . . . . 73.42 111.092 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -114.15 150.27 34.42 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.848 -0.615 . . . . 53.12 110.907 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -98.55 136.42 38.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.919 -0.582 . . . . 72.15 110.834 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.56 144.91 28.98 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.852 -0.613 . . . . 75.03 110.928 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.59 149.31 23.86 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.934 -0.575 . . . . 71.34 111.15 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.18 -42.24 7.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.929 -0.578 . . . . 72.43 111.448 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -121.36 136.46 54.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.314 -0.403 . . . . 73.4 110.825 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.02 -81.52 0.16 Allowed Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.9 -0.591 . . . . 71.42 112.483 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.412 ' O ' HD12 ' A' ' 120' ' ' ILE . 2.1 pp -109.58 136.47 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.682 0.283 . . . . 71.42 111.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.56 -42.94 1.43 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.883 -0.598 . . . . 74.34 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.01 131.14 52.92 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.406 0.441 . . . . 75.0 110.82 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.489 -0.767 . . . . 75.3 110.509 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.558 0.218 . . . . 74.15 110.548 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 mt -128.38 141.65 51.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.882 -0.599 . . . . 73.21 110.92 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -65.7 150.21 48.86 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.9 -0.591 . . . . 71.34 111.9 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mp -124.21 145.93 49.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.959 -0.564 . . . . 73.23 110.832 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -128.75 132.84 47.96 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.865 -0.607 . . . . 72.22 110.526 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.6 158.77 8.53 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.85 -0.614 . . . . 72.24 112.555 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.595 ' HG2' ' N ' ' A' ' 19' ' ' ARG . 64.2 mt-30 -117.56 178.42 4.4 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.533 0.196 . . . . 74.33 110.982 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.64 -15.05 0.83 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.539 0.94 . . . . 71.04 113.539 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.599 ' C ' ' H ' ' A' ' 18' ' ' ILE . . . -100.02 83.7 0.57 Allowed Glycine 0 C--N 1.34 0.774 0 N-CA-C 115.341 0.896 . . . . 63.22 115.341 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 3.7 mm? -51.98 122.92 9.25 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 117.237 0.518 . . . . 75.44 111.8 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 38.9 t -64.89 148.61 51.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.123 -0.944 . . . . 74.54 111.954 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.31 -36.52 83.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.327 -0.851 . . . . 62.14 111.799 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -96.03 -41.8 8.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.655 -0.702 . . . . 73.32 111.61 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -97.76 155.48 17.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.107 0.254 . . . . 65.02 110.867 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.6 27.41 2.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.256 0.55 . . . . 63.35 110.325 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -113.98 138.28 50.57 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.478 -0.783 . . . . 72.21 110.415 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HD2' ' O ' ' A' ' 7' ' ' GLN . 44.2 mtt180 -66.03 155.85 35.47 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 115.629 -0.714 . . . . 73.24 111.209 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.617 HG12 ' CD2' ' A' ' 33' ' ' HIS . 78.2 mt -120.04 98.09 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 121.429 0.633 . . . . 73.32 112.402 -177.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.595 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -150.69 159.77 44.29 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.759 -1.11 . . . . 73.25 110.897 178.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.471 ' H ' ' HD3' ' A' ' 19' ' ' ARG . . . 51.08 -81.82 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 124.307 1.043 . . . . 73.32 113.807 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -64.79 -20.23 66.26 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.895 0.478 . . . . 62.12 110.838 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.591 ' OE2' ' HA ' ' A' ' 19' ' ' ARG . 4.2 pt-20 -29.05 -60.71 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.783 1.233 . . . . 64.3 113.874 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.832 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 25.6 mmt 40.46 68.23 0.43 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.851 0.834 . . . . 73.45 110.234 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.409 ' N ' ' HA ' ' A' ' 92' ' ' THR . 14.9 t -157.5 -173.79 4.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 114.6 -1.182 . . . . 74.24 110.081 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.537 ' HB2' ' N ' ' A' ' 89' ' ' GLY . 3.1 ppp? -117.2 164.52 14.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.691 -0.404 . . . . 73.33 112.064 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.759 ' H ' ' H ' ' A' ' 90' ' ' GLU . 40.9 ttt180 -100.11 122.85 43.61 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 74.14 109.939 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.4 t -89.96 -179.18 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.903 -0.59 . . . . 61.35 110.191 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.637 ' H ' HG12 ' A' ' 27' ' ' VAL . 89.6 mttt -48.59 -62.6 1.42 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.731 1.012 . . . . 71.52 113.731 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.59 -38.1 2.92 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.137 0.421 . . . . 64.13 112.137 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 81.2 mttt -99.99 154.2 18.58 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.523 0.515 . . . . 74.21 111.549 -178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -120.11 135.39 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.259 -0.645 . . . . 70.13 109.259 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 73.5 m-85 -123.24 146.6 47.71 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.455 0.472 . . . . 73.03 111.674 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.819 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 28.3 m80 -64.91 174.01 2.08 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.395 0.678 . . . . 71.24 111.831 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.685 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.5 pp -65.52 -47.03 77.35 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 109.946 -0.391 . . . . 74.42 109.946 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.14 -20.49 66.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.191 -0.913 . . . . 72.11 110.808 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.819 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 13.9 m -96.72 -4.48 40.65 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.251 -0.886 . . . . 50.41 112.238 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -115.41 58.96 0.72 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.375 0.607 . . . . 74.33 110.342 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -120.97 159.8 24.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.412 -0.813 . . . . 61.52 111.64 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 48.4 t -66.12 146.97 54.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.603 -0.726 . . . . 74.45 111.861 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.06 -1.35 57.8 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.923 -0.58 . . . . 44.53 111.988 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.29 -48.2 2.97 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.053 0.39 . . . . 62.42 112.053 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.1 p -110.37 -6.75 14.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.875 0.324 . . . . 72.25 111.875 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 17.8 mm-40 65.01 10.67 6.46 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.101 0.96 . . . . 74.42 112.998 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 63.1 tttt -65.9 161.7 20.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.698 0.399 . . . . 63.34 111.518 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -97.05 153.9 17.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.762 -0.654 . . . . 71.44 111.033 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -102.6 148.66 25.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.931 -0.577 . . . . 74.55 111.13 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -121.15 161.45 21.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.995 -1.002 . . . . 65.21 111.85 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.83 136.4 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.87 -0.605 . . . . 73.4 112.422 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.44 6.14 58.75 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.95 -0.568 . . . . 64.22 113.586 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.9 m-20 -119.62 147.57 44.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.798 0.299 . . . . 71.24 111.06 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -90.04 138.1 31.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.809 -0.632 . . . . 74.23 110.875 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.425 ' OH ' HG13 ' A' ' 27' ' ' VAL . 44.2 p90 -128.57 159.9 34.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.061 -0.518 . . . . 65.34 111.524 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tt -117.71 125.96 51.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.566 -0.743 . . . . 63.11 109.457 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 tt -91.11 110.83 22.11 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.961 -0.563 . . . . 55.3 110.462 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -88.38 176.22 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 115.557 -0.747 . . . . 70.24 110.875 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -47.95 -35.49 10.85 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.681 0.993 . . . . 75.13 113.681 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.508 ' H ' HG23 ' A' ' 55' ' ' ILE . 51.5 m -107.79 -72.23 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.097 0.406 . . . . 70.43 112.097 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.7 m-20 -120.39 -164.98 1.14 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.25 0.22 . . . . 75.52 111.538 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.8 mp -95.66 142.73 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 122.679 0.391 . . . . 73.24 110.224 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.511 HG21 ' CD1' ' A' ' 68' ' ' TRP . 10.9 t -120.34 125.05 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 O-C-N 123.543 0.527 . . . . 72.23 109.999 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 p -62.83 157.28 21.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.139 0.575 . . . . 72.41 112.122 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.1 mt-10 -60.9 -21.65 63.56 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.929 -0.578 . . . . 74.23 111.994 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -41.04 86.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.744 0.417 . . . . 75.13 111.691 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -110.44 5.83 21.68 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.666 0.617 . . . . 42.3 112.666 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.55 -53.62 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 113.141 0.793 . . . . 73.54 113.141 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.0 t80 -60.07 -52.87 63.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.582 0.586 . . . . 70.12 112.582 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.0 -39.18 93.08 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.781 0.66 . . . . 63.44 112.781 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CD1' HG21 ' A' ' 60' ' ' VAL . 61.2 t-105 -65.4 -53.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.555 0.342 . . . . 73.13 111.255 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 p -61.39 -28.93 69.6 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.27 0.557 . . . . 70.34 111.166 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 58.0 tttt -65.1 -38.51 90.93 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.913 -1.039 . . . . 73.44 112.684 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.2 mm -84.19 -47.55 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 112.974 0.731 . . . . 74.41 112.974 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -92.75 -30.04 15.72 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 113.126 0.787 . . . . 73.23 113.126 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.17 -159.43 19.4 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.024 -0.608 . . . . 72.21 112.747 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.28 -54.95 0.08 OUTLIER Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.502 -0.38 . . . . 61.03 112.451 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.3 t -110.77 144.29 39.97 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.717 0.304 . . . . 52.4 110.69 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.97 92.7 1.95 Allowed Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.929 -0.578 . . . . 63.22 112.466 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.97 -89.4 0.16 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.464 -0.398 . . . . 75.05 112.47 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.8 m -99.79 -42.41 6.84 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.605 0.238 . . . . 62.24 111.236 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.21 -108.88 0.78 Allowed Glycine 0 C--N 1.34 0.799 0 O-C-N 123.47 0.481 . . . . 42.13 112.567 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.41 -101.54 1.49 Allowed Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.453 -0.403 . . . . 70.3 112.462 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.3 m -104.68 -43.45 5.13 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.662 0.272 . . . . 75.44 111.272 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.93 -73.45 0.53 Allowed Glycine 0 C--N 1.34 0.757 0 O-C-N 123.521 0.513 . . . . 73.23 112.524 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.3 55.08 0.19 Allowed Glycine 0 C--N 1.336 0.541 0 C-N-CA 121.537 -0.363 . . . . 72.21 112.455 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -120.75 146.16 46.78 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.62 0.247 . . . . 73.24 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 t -125.41 137.91 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.842 -0.617 . . . . 64.22 109.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.501 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 66.7 mtm -108.51 147.45 31.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.78 -0.646 . . . . 73.44 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.92 148.44 6.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.865 -0.607 . . . . 61.23 110.766 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 50' ' ' ASP . 96.8 t -58.99 109.82 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 115.712 -0.677 . . . . 74.03 111.375 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.537 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.42 -117.6 0.01 OUTLIER Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.138 -0.937 . . . . 65.22 114.92 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.759 ' H ' ' H ' ' A' ' 26' ' ' ARG . 11.0 mt-10 -49.96 164.58 0.35 Allowed Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 124.407 1.083 . . . . 70.12 112.513 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -83.3 147.14 12.69 Favored 'Trans proline' 0 C--N 1.375 1.935 0 N-CA-C 117.27 1.989 . . . . 72.51 117.27 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.768 ' HA ' ' C ' ' A' ' 23' ' ' MET . 7.5 t -102.17 164.63 11.59 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 111.527 -2.579 . . . . 74.13 107.615 174.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.832 ' H ' ' HB3' ' A' ' 23' ' ' MET . 5.4 tt -39.84 97.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.851 1.261 . . . . 74.54 112.774 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 17.8 tpp -66.46 -48.86 68.57 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.361 -1.29 . . . . 54.23 112.082 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -118.97 -85.58 0.99 Allowed Glycine 0 C--N 1.343 0.932 0 O-C-N 123.379 0.424 . . . . 64.12 112.988 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.31 -164.1 28.72 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 121.303 -0.475 . . . . 74.41 112.882 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -103.41 161.95 13.42 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.514 0.326 . . . . 65.14 110.982 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -87.47 -42.9 12.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.096 -0.502 . . . . 72.24 111.667 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.89 138.7 3.02 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 121.366 -0.445 . . . . 61.51 112.731 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -129.76 60.83 1.58 Allowed 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.478 0.656 . . . . 72.42 110.425 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -88.19 -23.04 23.7 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.345 -0.843 . . . . 62.44 112.176 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.66 -20.77 30.75 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.573 0.582 . . . . 61.45 112.573 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.12 -15.17 39.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.372 0.508 . . . . 75.34 112.372 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -89.61 -29.67 18.68 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.044 0.387 . . . . 72.2 112.044 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -41.76 10.84 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.394 0.434 . . . . 75.13 111.694 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.98 151.01 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 123.348 0.405 . . . . 42.53 111.51 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 p -127.17 125.11 40.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.897 -0.592 . . . . 74.35 110.973 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -105.42 138.5 41.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.907 -0.588 . . . . 72.22 110.867 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.55 140.42 51.23 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.875 -0.602 . . . . 63.32 110.975 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.01 143.92 32.54 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.846 -0.615 . . . . 74.13 110.804 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -128.69 142.53 50.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.879 -0.601 . . . . 73.5 110.866 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.2 t -103.33 -44.1 5.25 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.83 -0.623 . . . . 73.42 111.306 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -99.06 149.74 22.72 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.422 0.451 . . . . 53.12 110.975 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -98.01 -41.98 7.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.879 -0.601 . . . . 72.15 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.03 128.82 45.24 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 123.386 0.429 . . . . 75.03 110.989 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -127.66 -41.29 1.69 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.842 -0.617 . . . . 71.34 111.406 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -97.06 -37.97 9.94 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.464 0.477 . . . . 72.43 111.581 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 46.0 105.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.865 1.266 . . . . 73.4 113.433 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -168.01 149.61 14.72 Favored Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.53 -0.759 . . . . 71.42 112.407 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.12 133.24 42.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 120.592 0.235 . . . . 71.42 110.617 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -129.54 144.71 51.38 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.853 -0.612 . . . . 74.34 110.549 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -117.91 138.11 52.36 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.884 -0.598 . . . . 75.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.124 -0.941 . . . . 75.3 110.883 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.495 0.188 . . . . 74.15 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 3' ' ' ARG . 2.9 tt -127.43 120.47 28.48 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.94 -0.573 . . . . 73.21 110.506 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.455 ' O ' HD23 ' A' ' 2' ' ' LEU . 74.7 mtp180 -65.82 150.66 48.2 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.775 -0.648 . . . . 71.34 111.996 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -124.99 125.54 44.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.956 -0.565 . . . . 73.23 110.492 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -132.62 150.58 52.14 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.895 -0.593 . . . . 72.22 111.215 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.15 -55.44 0.25 Allowed Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.847 -0.615 . . . . 72.24 112.389 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -98.76 163.4 12.65 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 122.446 0.298 . . . . 74.33 110.766 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.81 -42.46 24.33 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.327 -0.397 . . . . 71.04 111.689 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.37 -13.04 67.36 Favored Glycine 0 C--N 1.34 0.792 0 O-C-N 123.444 0.465 . . . . 63.22 113.627 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.08 152.45 51.67 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.933 0.366 . . . . 75.44 111.476 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 t -95.06 114.13 25.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.51 -0.768 . . . . 74.54 110.128 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -65.99 -6.35 12.41 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.961 1.097 . . . . 62.14 113.961 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -98.0 -53.68 3.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.923 0.342 . . . . 73.32 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 p -100.9 0.74 38.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.325 0.491 . . . . 65.02 112.325 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 57.28 28.87 15.86 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.687 0.795 . . . . 63.35 112.451 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -104.66 142.97 33.73 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.88 -0.6 . . . . 72.21 110.161 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -65.5 125.12 24.18 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.759 -0.655 . . . . 73.24 111.411 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 22' ' ' GLU . 64.1 mt -76.56 142.61 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 109.367 -0.605 . . . . 73.32 109.367 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -121.51 -174.4 2.85 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.453 0.47 . . . . 73.25 111.884 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -19.67 18.21 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.425 0.898 . . . . 73.32 113.425 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.615 ' O ' ' HG2' ' A' ' 23' ' ' MET . 66.3 t80 -68.7 -63.93 0.96 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.759 -0.459 . . . . 62.12 109.759 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.632 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 32.96 -71.12 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.874 1.805 . . . . 64.3 115.874 178.75 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 39.0 mmt 49.71 44.69 24.78 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.664 0.745 . . . . 73.45 110.826 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 22' ' ' GLU . 42.1 p -117.79 169.49 9.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.898 -1.046 . . . . 74.24 112.248 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -104.63 159.54 15.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.365 -0.834 . . . . 73.33 110.073 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -86.65 119.63 27.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.962 0.41 . . . . 74.14 111.391 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.677 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.2 t -91.69 -179.24 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 115.326 -0.852 . . . . 61.35 109.537 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.677 ' H ' HG12 ' A' ' 27' ' ' VAL . 86.6 mttt -53.43 -64.4 0.83 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.652 0.982 . . . . 71.52 113.652 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.63 -42.58 2.52 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 112.619 0.6 . . . . 64.13 112.619 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.9 mttt -108.89 141.76 40.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.242 0.46 . . . . 74.21 112.242 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.47 140.26 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.756 -0.831 . . . . 70.13 108.756 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 12' ' ' ALA . 36.5 m-85 -128.48 155.56 44.62 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.367 0.417 . . . . 73.03 111.51 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.677 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 19.8 m80 -65.42 157.92 28.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.977 0.511 . . . . 71.24 110.947 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.3 pp -65.64 -45.62 82.36 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.775 0.322 . . . . 74.42 110.712 178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.21 -27.1 67.72 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.523 -0.762 . . . . 72.11 111.51 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 29.1 m -89.08 -3.33 58.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.761 -0.654 . . . . 50.41 111.882 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -89.17 55.99 3.51 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.527 0.679 . . . . 74.33 110.171 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -120.68 163.41 18.11 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.118 -0.947 . . . . 61.52 111.748 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 43' ' ' GLN . 33.7 t -65.91 147.02 54.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.439 0.695 . . . . 74.45 111.719 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.07 -12.0 34.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.872 0.693 . . . . 44.53 112.872 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -102.57 -50.38 3.59 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.29 0.478 . . . . 62.42 112.29 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 19.1 p -105.4 -5.2 20.6 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.864 0.32 . . . . 72.25 111.864 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.2 mm-40 64.87 11.98 7.4 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.198 0.999 . . . . 74.42 113.286 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 58.7 tttt -65.79 162.81 17.99 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.562 0.345 . . . . 63.34 111.309 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -99.33 153.02 19.3 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.156 -0.475 . . . . 71.44 111.14 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -104.04 146.29 28.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.646 -0.706 . . . . 74.55 111.02 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 t -120.63 158.28 27.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.408 -0.815 . . . . 65.21 111.032 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.7 134.06 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.094 -0.503 . . . . 73.4 112.184 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -24.41 23.23 Favored Glycine 0 C--N 1.337 0.638 0 O-C-N 123.605 0.566 . . . . 64.22 113.374 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.04 152.67 19.16 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.364 0.266 . . . . 71.24 111.34 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -85.77 136.81 33.18 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.89 -0.595 . . . . 74.23 111.229 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.439 ' OH ' HG13 ' A' ' 27' ' ' VAL . 26.6 p90 -126.21 153.75 44.25 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.543 0.527 . . . . 65.34 111.344 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.0 tp -112.67 131.31 55.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.707 -0.679 . . . . 63.11 109.644 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -94.59 110.58 22.38 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.568 0.543 . . . . 55.3 110.268 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -87.67 176.04 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 115.659 -0.7 . . . . 70.24 110.77 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -48.03 -35.05 10.38 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.772 1.027 . . . . 75.13 113.772 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.487 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.8 m -120.18 -56.55 1.99 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.825 0.676 . . . . 70.43 112.825 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.591 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.3 m-20 -120.23 -161.3 0.87 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.017 0.377 . . . . 75.52 112.017 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.0 mp -108.98 143.14 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 122.732 0.413 . . . . 73.24 110.272 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -120.22 125.64 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.906 -0.588 . . . . 72.23 110.081 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 8.4 p -65.57 158.54 26.81 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.072 -0.513 . . . . 72.41 112.181 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 65' ' ' ILE . 9.8 tt0 -63.6 -18.77 64.25 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.71 -0.677 . . . . 74.23 112.402 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -66.27 -52.66 45.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.331 0.493 . . . . 75.13 112.331 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.5 p30 -110.59 15.03 22.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.314 0.487 . . . . 42.3 112.314 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.28 -43.93 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.5 0.72 . . . . 73.54 112.877 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -62.06 -51.45 67.92 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.197 0.599 . . . . 70.12 112.305 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 71' ' ' ILE . 42.1 mt-10 -63.98 -42.13 97.31 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.604 0.594 . . . . 63.44 112.604 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.51 ' HE1' HG12 ' A' ' 55' ' ' ILE . 48.8 t-105 -65.2 -46.41 80.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.602 0.361 . . . . 73.13 111.917 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 p -65.26 -29.56 70.34 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.808 0.443 . . . . 70.34 111.717 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -65.37 -41.48 93.72 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.568 -0.742 . . . . 73.44 111.689 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 67' ' ' GLU . 3.4 mt -84.64 -47.29 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 123.411 0.444 . . . . 74.41 111.371 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -79.63 -0.91 35.78 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.845 -0.616 . . . . 73.23 112.569 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -125.48 -138.42 4.95 Favored Glycine 0 C--N 1.339 0.723 0 C-N-CA 121.375 -0.44 . . . . 72.21 112.533 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.56 109.31 0.42 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.398 -0.429 . . . . 61.03 112.514 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.0 m -128.29 131.12 48.7 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.659 0.27 . . . . 52.4 110.836 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.56 -82.25 0.04 OUTLIER Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.797 -0.638 . . . . 63.22 112.522 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.17 -55.37 0.01 OUTLIER Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.423 -0.418 . . . . 75.05 112.49 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -125.15 137.59 54.15 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.696 0.292 . . . . 62.24 110.741 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.65 -120.65 0.79 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.897 -0.592 . . . . 42.13 112.453 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.37 -150.6 5.48 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 121.42 -0.419 . . . . 70.3 112.485 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.5 m -128.06 145.17 51.08 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.647 0.263 . . . . 75.44 110.917 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.03 115.39 0.83 Allowed Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.814 -0.63 . . . . 73.23 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.02 97.68 0.13 Allowed Glycine 0 C--N 1.337 0.612 0 C-N-CA 121.438 -0.41 . . . . 72.21 112.494 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -116.66 144.03 44.91 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 122.297 0.239 . . . . 73.24 110.548 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.89 145.77 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 115.905 -0.588 . . . . 64.22 110.029 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.676 ' SD ' ' HE3' ' A' ' 28' ' ' LYS . 5.6 mmt -119.35 150.95 39.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.883 -0.599 . . . . 73.44 110.973 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.31 142.42 14.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.01 -0.541 . . . . 61.23 110.359 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.46 110.26 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 123.444 0.465 . . . . 74.03 110.676 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.98 150.4 51.81 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.741 -0.663 . . . . 65.22 113.452 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.23 111.66 7.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.645 0.378 . . . . 70.12 111.584 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.89 162.29 32.83 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.408 2.072 . . . . 72.51 112.53 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -102.58 110.85 22.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 74.13 110.999 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.611 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 5.8 mp -66.65 150.73 48.62 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.485 -0.78 . . . . 74.54 112.047 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 8.7 ttt -65.9 -41.49 91.41 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.92 -0.582 . . . . 54.23 111.826 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.95 71.48 0.41 Allowed Glycine 0 C--N 1.34 0.759 0 CA-C-N 116.106 -0.497 . . . . 64.12 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.61 -47.89 0.04 OUTLIER Glycine 0 C--N 1.338 0.694 0 C-N-CA 121.35 -0.453 . . . . 74.41 112.75 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -95.8 149.33 21.63 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.311 0.245 . . . . 65.14 111.176 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.93 -41.21 5.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.761 -0.654 . . . . 72.24 111.177 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.68 133.79 8.15 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.473 0.483 . . . . 61.51 112.447 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -121.7 78.79 1.49 Allowed 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.312 0.577 . . . . 72.42 110.747 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 42.9 mt-10 -88.48 -19.04 26.99 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.395 -0.82 . . . . 62.44 111.982 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 -23.8 29.95 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.392 0.516 . . . . 61.45 112.392 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.11 -29.33 21.92 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.891 0.33 . . . . 75.34 111.891 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -93.35 -1.79 55.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.273 0.358 . . . . 72.2 111.833 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 2.8 tt -94.95 -45.17 7.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.593 -0.276 . . . . 75.13 111.2 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -105.13 148.25 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 123.27 0.356 . . . . 42.53 111.433 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.4 p -140.15 148.07 41.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.653 -0.703 . . . . 74.35 110.92 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -126.71 148.63 49.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.904 -0.589 . . . . 72.22 111.002 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -122.38 149.2 44.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.785 -0.643 . . . . 63.32 110.929 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -118.03 147.5 43.16 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.992 -0.549 . . . . 74.13 111.058 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -123.39 143.99 49.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.886 -0.597 . . . . 73.5 110.793 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.4 p -120.03 -46.1 2.44 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.951 -0.568 . . . . 73.42 111.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -100.15 142.31 31.8 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.393 0.433 . . . . 53.12 110.993 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -128.61 144.11 51.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.854 -0.612 . . . . 72.15 110.486 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -120.67 145.29 47.59 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.923 -0.58 . . . . 75.03 110.923 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -116.85 143.02 46.18 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.929 -0.578 . . . . 71.34 111.126 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -101.25 -41.95 6.51 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.915 -0.584 . . . . 72.43 111.55 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -99.96 145.5 27.77 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.372 0.42 . . . . 73.4 110.622 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.12 -120.41 0.97 Allowed Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.827 -0.624 . . . . 71.42 112.464 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.424 ' H ' HG13 ' A' ' 120' ' ' ILE . 2.1 pp -110.01 140.65 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 122.32 0.248 . . . . 71.42 111.389 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.87 137.44 39.25 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.931 -0.577 . . . . 74.34 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -100.97 138.27 38.24 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.843 -0.617 . . . . 75.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.104 -0.951 . . . . 75.3 110.801 -179.885 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 111.27 0.1 . . . . 74.15 111.27 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 tp -100.59 124.45 46.18 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.374 0.421 . . . . 73.21 110.666 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -65.77 151.13 47.33 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.871 -0.604 . . . . 71.34 111.919 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mt -114.23 137.29 51.97 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.905 -0.589 . . . . 73.23 110.899 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -108.67 150.2 27.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.86 -0.609 . . . . 72.22 110.84 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.58 -119.65 0.67 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.951 -0.568 . . . . 72.24 112.746 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' OE1' HG11 ' A' ' 31' ' ' VAL . 46.4 mt-30 -95.79 173.01 7.68 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.527 0.331 . . . . 74.33 111.133 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.13 -43.72 51.09 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.336 -0.393 . . . . 71.04 111.676 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.462 ' O ' ' HA ' ' A' ' 17' ' ' ARG . . . 113.15 -18.54 21.16 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 121.188 -0.529 . . . . 63.22 113.912 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -123.43 150.23 44.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 117.151 0.476 . . . . 75.44 111.661 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.7 t -98.77 120.02 38.51 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.75 -0.659 . . . . 74.54 109.971 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.5 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -66.15 -6.23 12.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.403 1.26 . . . . 62.14 114.403 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -108.9 -53.94 2.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.469 0.544 . . . . 73.32 112.469 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.0 -2.74 42.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.274 0.472 . . . . 65.02 112.274 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 58.79 24.18 12.04 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.803 0.841 . . . . 63.35 112.768 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -100.9 147.05 26.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.275 -0.42 . . . . 72.21 110.512 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 86.5 mtt180 -65.33 121.34 14.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.918 -0.583 . . . . 73.24 111.063 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.557 HG12 ' NE2' ' A' ' 33' ' ' HIS . 85.9 mt -83.28 98.54 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.516 0.674 . . . . 73.32 110.106 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -147.82 154.08 40.01 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.354 -1.294 . . . . 73.25 111.442 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.18 -70.78 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.625 1.17 . . . . 73.32 113.939 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 95' ' ' GLY . 6.1 t80 -59.09 -63.47 1.29 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.158 0.583 . . . . 62.12 111.601 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 29.14 -86.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.911 1.448 . . . . 64.3 114.911 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.724 ' HA ' ' O ' ' A' ' 92' ' ' THR . 43.9 mmm 53.93 26.27 6.12 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.453 0.701 . . . . 73.45 112.261 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -119.71 -179.98 4.06 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.066 -0.516 . . . . 74.24 111.955 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.78 170.74 7.8 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.628 -0.715 . . . . 73.33 111.45 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -95.86 127.68 42.08 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 74.14 110.462 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.657 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.8 t -93.99 -178.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.829 -0.623 . . . . 61.35 109.716 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.657 ' H ' HG12 ' A' ' 27' ' ' VAL . 96.1 mttt -43.75 -66.14 0.42 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.838 1.051 . . . . 71.52 113.838 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.4 -41.74 2.59 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.235 0.458 . . . . 64.13 112.235 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.5 mttt -102.36 151.73 21.91 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.301 0.376 . . . . 74.21 111.533 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG11 ' OE1' ' A' ' 7' ' ' GLN . 4.3 t -109.0 131.98 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.813 -0.63 . . . . 70.13 109.462 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 85.9 m-85 -121.15 145.33 47.93 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.473 0.483 . . . . 73.03 111.597 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.71 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.9 m80 -65.51 165.95 11.29 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.897 -0.592 . . . . 71.24 111.13 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -65.43 -48.7 71.86 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.613 0.244 . . . . 74.42 110.854 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.57 -29.98 70.18 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.797 -0.638 . . . . 72.11 111.372 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 24.4 m -83.79 -10.32 58.16 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.488 -0.778 . . . . 50.41 111.816 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 46' ' ' PHE . 32.8 t80 -98.03 55.58 1.17 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.42 0.628 . . . . 74.33 109.845 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -121.04 162.17 20.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.399 -0.818 . . . . 61.52 112.069 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.6 t -66.19 147.05 53.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.589 -0.732 . . . . 74.45 111.774 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.42 -3.97 46.03 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.026 -0.534 . . . . 44.53 111.852 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.14 -47.95 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.961 0.356 . . . . 62.42 111.961 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 28.0 p -109.73 -5.39 15.62 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.1 0.25 . . . . 72.25 111.649 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 18.7 mm-40 65.27 10.73 6.7 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.194 0.997 . . . . 74.42 113.044 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.3 tttp -66.13 161.07 22.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.628 0.371 . . . . 63.34 111.376 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -100.8 152.89 19.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.999 -0.546 . . . . 71.44 111.015 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . 32.1 m-85 -107.97 130.87 55.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.735 -0.666 . . . . 74.55 111.333 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.4 m -120.78 171.35 8.67 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.933 -1.03 . . . . 65.21 110.834 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.52 141.51 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 122.81 0.444 . . . . 73.4 112.177 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.84 -34.03 5.91 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.854 -0.612 . . . . 64.22 113.027 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -96.4 152.24 18.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.622 0.248 . . . . 71.24 111.024 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -92.07 141.65 28.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.832 -0.622 . . . . 74.23 111.36 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -123.42 153.56 40.24 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.535 0.522 . . . . 65.34 111.513 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.94 124.59 47.43 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.404 -0.816 . . . . 63.11 109.639 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.41 111.49 20.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.898 -0.592 . . . . 55.3 110.758 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -88.06 176.37 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.53 -0.759 . . . . 70.24 110.728 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -47.76 -34.41 8.42 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.802 1.038 . . . . 75.13 113.802 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.521 ' H ' HG23 ' A' ' 55' ' ' ILE . 16.1 t -115.12 -64.04 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.446 0.535 . . . . 70.43 112.446 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.609 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.2 m-20 -120.48 -162.48 0.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.081 0.4 . . . . 75.52 112.081 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -97.48 134.3 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 122.883 0.473 . . . . 73.24 110.141 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.7 124.51 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.465 0.478 . . . . 72.23 110.34 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.9 p -65.02 160.55 20.62 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.819 -0.628 . . . . 72.41 112.061 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.634 ' O ' HG22 ' A' ' 65' ' ' ILE . 48.3 mt-10 -65.02 -19.8 66.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 74.23 111.881 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -66.98 -41.78 86.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.804 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -110.55 5.63 21.31 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.597 0.592 . . . . 42.3 112.597 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.3 -54.22 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.097 0.777 . . . . 73.54 113.097 -178.417 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.515 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.8 t80 -59.52 -52.49 65.34 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.972 0.509 . . . . 70.12 112.25 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.08 -38.55 91.11 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.597 0.591 . . . . 63.44 112.597 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -65.23 -52.53 54.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.531 0.332 . . . . 73.13 111.06 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.3 p -62.38 -28.95 70.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.935 0.494 . . . . 70.34 111.014 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 59.9 tttt -65.02 -38.69 91.74 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.976 -1.011 . . . . 73.44 112.683 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 67' ' ' GLU . 11.6 mm -84.14 -47.61 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.027 0.751 . . . . 74.41 113.027 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.04 -30.21 15.42 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.18 0.808 . . . . 73.23 113.18 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.37 149.2 7.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 121.026 -0.607 . . . . 72.21 112.645 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.68 52.22 0.02 OUTLIER Glycine 0 C--N 1.336 0.569 0 C-N-CA 121.572 -0.346 . . . . 61.03 112.558 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 p -130.0 147.38 51.74 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 122.318 0.247 . . . . 52.4 111.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.82 -146.03 17.52 Favored Glycine 0 C--N 1.336 0.569 0 O-C-N 123.696 0.622 . . . . 63.22 112.517 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.01 -141.85 3.23 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 121.416 -0.421 . . . . 75.05 112.511 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t 70.69 -52.0 0.67 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.452 1.101 . . . . 62.24 112.293 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.19 -80.96 0.05 OUTLIER Glycine 0 C--N 1.339 0.733 0 C-N-CA 121.433 -0.413 . . . . 42.13 112.491 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.55 150.71 18.88 Favored Glycine 0 C--N 1.337 0.593 0 C-N-CA 121.465 -0.398 . . . . 70.3 112.489 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.3 m -100.38 132.73 45.6 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 122.311 0.244 . . . . 75.44 110.952 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.06 -111.22 0.55 Allowed Glycine 0 C--N 1.339 0.696 0 CA-C-N 115.825 -0.625 . . . . 73.23 112.505 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 121.51 166.85 13.03 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.449 -0.405 . . . . 72.21 112.72 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.19 130.81 44.92 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.385 0.274 . . . . 73.24 110.882 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.79 141.59 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.907 -0.588 . . . . 64.22 110.054 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 mtt -119.58 151.59 38.41 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.904 -0.589 . . . . 73.44 110.937 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.92 154.07 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.897 -0.592 . . . . 61.23 111.071 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.2 123.01 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 115.66 -0.7 . . . . 74.03 110.748 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.47 175.66 15.43 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-N 115.826 -0.624 . . . . 65.22 113.969 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 119.68 62.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 123.074 0.55 . . . . 70.12 112.092 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.73 170.3 19.33 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.525 2.15 . . . . 72.51 113.141 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.724 ' O ' ' HA ' ' A' ' 23' ' ' MET . 7.8 p -101.94 111.07 23.2 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.991 -0.55 . . . . 74.13 110.147 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.06 153.27 42.7 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.563 0.949 . . . . 74.54 113.563 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 42.67 109.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.32 1.448 . . . . 54.23 113.84 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 21' ' ' TYR . . . -170.39 -39.15 0.03 OUTLIER Glycine 0 C--N 1.337 0.614 0 CA-C-N 114.753 -1.112 . . . . 64.12 112.507 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.438 ' H ' ' HG3' ' A' ' 23' ' ' MET . . . -139.79 -151.26 5.63 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 121.536 -0.364 . . . . 74.41 112.552 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.93 164.06 26.14 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.722 0.307 . . . . 65.14 110.934 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -89.96 -42.36 11.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.209 -0.45 . . . . 72.24 111.674 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.47 -122.07 1.39 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 121.275 -0.488 . . . . 61.51 112.686 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.79 91.6 2.49 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.316 0.579 . . . . 72.42 110.365 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -87.81 -18.7 28.74 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.198 -0.91 . . . . 62.44 112.036 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.08 -23.47 33.1 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.134 0.42 . . . . 61.45 112.134 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.09 -14.85 40.21 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.287 0.367 . . . . 75.34 111.981 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -92.38 5.22 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.402 -0.363 . . . . 72.2 111.769 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -90.65 -41.94 11.04 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.371 -0.377 . . . . 75.13 111.205 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.57 117.99 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.388 -0.369 . . . . 42.53 111.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.8 p -140.24 147.77 40.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.817 -0.629 . . . . 74.35 111.126 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -108.98 148.24 31.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.904 -0.589 . . . . 72.22 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.11 147.03 43.7 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.86 -0.609 . . . . 63.32 110.916 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 62.39 125.63 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.925 0.89 . . . . 74.13 112.079 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -114.76 141.3 48.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.751 -0.659 . . . . 73.5 110.852 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.8 t -101.85 124.26 47.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.96 -0.564 . . . . 73.42 111.019 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -130.01 141.73 50.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.859 -0.609 . . . . 53.12 110.492 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -104.9 129.88 53.17 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.892 -0.594 . . . . 72.15 110.527 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.91 149.22 51.74 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.863 -0.608 . . . . 75.03 111.047 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.27 142.94 31.06 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.86 -0.609 . . . . 71.34 111.139 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.33 -41.9 7.23 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.857 -0.61 . . . . 72.43 111.51 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -99.75 145.94 27.11 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.411 0.445 . . . . 73.4 111.017 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 159.96 80.12 0.03 OUTLIER Glycine 0 C--N 1.337 0.613 0 CA-C-N 115.918 -0.583 . . . . 71.42 112.495 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 121' ' ' ASP . 1.6 pp -111.69 -39.07 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 111.811 0.3 . . . . 71.42 111.811 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.503 ' N ' HD12 ' A' ' 120' ' ' ILE . 4.5 t70 -134.11 150.33 51.14 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.469 -0.332 . . . . 74.34 110.514 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 62.79 124.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.89 0.876 . . . . 75.0 111.993 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.502 -0.761 . . . . 75.3 110.845 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.313 0.101 . . . . 74.15 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.57 129.8 41.25 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.334 0.396 . . . . 73.21 110.979 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.79 131.19 45.69 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.871 -0.604 . . . . 71.34 111.964 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.641 ' H ' HD23 ' A' ' 4' ' ' LEU . 1.2 pt? -93.02 135.01 34.58 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.794 -0.639 . . . . 73.23 111.412 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 64.95 146.01 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.108 0.963 . . . . 72.22 112.266 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.9 179.71 18.24 Favored Glycine 0 C--N 1.339 0.696 0 CA-C-N 115.704 -0.68 . . . . 72.24 112.821 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.34 177.37 7.39 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.449 0.299 . . . . 74.33 110.688 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.75 -40.77 61.03 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.593 0.357 . . . . 71.04 111.805 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' ARG . . . 134.25 -41.37 1.47 Allowed Glycine 0 C--N 1.34 0.763 0 C-N-CA 121.083 -0.579 . . . . 63.22 113.604 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mp -131.87 158.73 40.57 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.002 0.371 . . . . 75.44 112.002 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 42.3 t -76.71 149.32 36.4 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.637 -0.71 . . . . 74.54 111.371 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -65.84 -35.72 81.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.294 -0.866 . . . . 62.14 112.097 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -97.58 -39.96 8.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.73 -0.668 . . . . 73.32 111.654 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 m -98.3 147.87 24.22 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.2 0.312 . . . . 65.02 111.016 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.03 37.17 1.09 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.665 0.745 . . . . 63.35 109.424 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -111.87 139.87 47.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 114.913 -1.04 . . . . 72.21 110.733 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 10.2 mmt180 -65.85 116.02 6.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.776 -0.647 . . . . 73.24 111.244 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 33' ' ' HIS . 52.0 mt -72.67 98.29 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.329 0.585 . . . . 73.32 110.01 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -148.2 -174.95 4.72 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.836 -1.074 . . . . 73.25 111.92 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.34 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.906 1.282 . . . . 73.32 113.671 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' ' HG3' ' A' ' 23' ' ' MET . 58.6 t80 -79.29 -56.9 4.0 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 122.511 0.324 . . . . 62.12 110.414 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 28.8 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.57 1.322 . . . . 64.3 114.57 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.414 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 65.1 mtt 47.09 53.1 11.09 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.113 0.965 . . . . 73.45 111.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.5 p -116.05 162.87 16.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.045 -0.979 . . . . 74.24 112.298 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -103.43 151.4 22.84 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.306 -0.861 . . . . 73.33 109.621 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -80.14 120.68 24.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.399 -0.364 . . . . 74.14 111.684 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.706 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.5 t -87.59 -179.24 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-N 115.709 -0.678 . . . . 61.35 109.581 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.706 ' H ' HG12 ' A' ' 27' ' ' VAL . 94.1 mttt -45.96 -64.45 0.74 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.994 1.109 . . . . 71.52 113.994 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -120.44 -44.96 2.44 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.061 0.393 . . . . 64.13 112.061 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 30.9 mtmt -110.28 151.92 26.79 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.238 0.336 . . . . 74.21 111.717 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -108.74 150.44 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 115.953 -0.567 . . . . 70.13 110.193 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 51.2 m-85 -132.04 153.64 50.2 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.012 -0.54 . . . . 73.03 111.268 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.873 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 22.6 m80 -65.61 163.37 16.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.985 0.514 . . . . 71.24 110.507 177.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 22' ' ' GLU . 2.6 mt -59.23 -50.2 74.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.61 0.243 . . . . 74.42 110.848 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.68 -22.75 66.08 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.765 -0.652 . . . . 72.11 111.593 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.873 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 59.1 m -84.78 -1.42 56.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.702 -0.681 . . . . 50.41 111.844 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.16 55.01 1.73 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.505 0.669 . . . . 74.33 109.804 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -120.97 162.04 20.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.234 -0.894 . . . . 61.52 111.58 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 37.3 t -66.21 147.18 53.71 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.811 -0.631 . . . . 74.45 111.744 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.85 -5.88 49.99 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.917 -0.583 . . . . 44.53 112.331 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.09 -50.58 3.07 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.087 0.403 . . . . 62.42 112.087 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.7 p -107.11 -4.81 18.49 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.774 0.287 . . . . 72.25 111.774 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.1 mm-40 64.66 11.28 6.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.102 0.961 . . . . 74.42 113.0 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.3 tttt -65.91 161.99 20.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.669 0.388 . . . . 63.34 111.271 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.14 149.51 22.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.054 -0.521 . . . . 71.44 111.12 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -101.25 145.98 28.14 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.699 -0.682 . . . . 74.55 110.778 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.2 m -120.82 158.24 28.02 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.217 -0.901 . . . . 65.21 111.223 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.72 135.8 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 116.091 -0.504 . . . . 73.4 112.066 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.01 -23.24 25.94 Favored Glycine 0 C--N 1.336 0.58 0 O-C-N 123.564 0.54 . . . . 64.22 113.167 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.8 m-20 -97.09 152.78 18.44 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 122.399 0.28 . . . . 71.24 111.108 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -86.96 139.8 30.23 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.884 -0.598 . . . . 74.23 111.233 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -129.93 157.02 43.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.09 -0.504 . . . . 65.34 111.343 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.53 129.39 56.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.668 -0.696 . . . . 63.11 109.663 178.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.98 115.0 27.69 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.947 -0.569 . . . . 55.3 110.667 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -92.9 176.16 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 115.692 -0.686 . . . . 70.24 110.68 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -48.01 -35.0 10.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.815 1.043 . . . . 75.13 113.815 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.481 ' H ' HG23 ' A' ' 55' ' ' ILE . 14.8 t -120.13 -56.77 1.98 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.756 0.65 . . . . 70.43 112.756 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.605 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.1 m-20 -120.24 -161.53 0.88 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.128 0.418 . . . . 75.52 112.128 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 3.2 mt -110.28 141.8 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 122.823 0.449 . . . . 73.24 110.033 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 11.8 t -120.77 128.35 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 123.53 0.519 . . . . 72.23 110.403 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -65.4 158.47 26.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.909 -0.587 . . . . 72.41 112.084 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.3 mt-10 -61.2 -21.68 64.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.009 0.524 . . . . 74.23 111.885 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -67.06 -40.95 87.18 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.666 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -110.38 5.82 21.8 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.667 0.618 . . . . 42.3 112.667 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.56 -53.88 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 113.175 0.805 . . . . 73.54 113.175 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 58.1 t80 -59.26 -53.41 58.59 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.661 0.615 . . . . 70.12 112.661 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.4 mt-10 -65.16 -40.45 94.35 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.898 0.703 . . . . 63.44 112.898 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.8 t-105 -65.5 -50.88 63.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.585 0.354 . . . . 73.13 111.886 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.2 p -62.79 -29.48 70.75 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.972 0.415 . . . . 70.34 111.345 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 38.0 tttm -65.44 -42.15 92.74 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.124 -0.943 . . . . 73.44 111.893 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 67' ' ' GLU . 10.2 mm -84.6 -46.98 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.857 -0.61 . . . . 74.41 111.76 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -76.8 -29.86 56.2 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.664 0.616 . . . . 73.23 112.664 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.1 -124.61 5.21 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 121.401 -0.428 . . . . 72.21 112.557 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 156.61 118.41 0.58 Allowed Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.408 -0.425 . . . . 61.03 112.537 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 m -100.86 143.12 31.39 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 122.311 0.244 . . . . 52.4 110.914 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.39 102.29 1.78 Allowed Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.894 -0.593 . . . . 63.22 112.556 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.45 -146.28 17.19 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.426 -0.416 . . . . 75.05 112.443 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.5 m -113.96 131.54 56.29 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.624 0.25 . . . . 62.24 110.951 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 148.5 99.01 0.21 Allowed Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.877 -0.601 . . . . 42.13 112.498 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.06 120.43 1.0 Allowed Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.524 -0.369 . . . . 70.3 112.509 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.2 m -124.89 139.37 53.9 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.604 0.238 . . . . 75.44 110.877 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 102.36 2.5 Favored Glycine 0 C--N 1.337 0.63 0 CA-C-N 115.814 -0.63 . . . . 73.23 112.488 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.3 53.01 0.8 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 121.402 -0.427 . . . . 72.21 112.542 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -130.29 132.07 45.74 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.332 0.253 . . . . 73.24 110.791 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -106.11 134.18 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 115.948 -0.569 . . . . 64.22 110.0 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -120.21 155.88 32.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.639 -0.71 . . . . 73.44 111.367 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 50' ' ' ASP . 9.6 p -95.69 147.86 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.664 -0.698 . . . . 61.23 110.324 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.59 109.19 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 120.878 0.37 . . . . 74.03 111.345 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.66 168.66 39.17 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.491 -0.777 . . . . 65.22 113.321 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.25 157.5 81.27 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 119.044 -0.503 . . . . 70.12 111.318 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -76.53 136.14 17.09 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.247 1.965 . . . . 72.51 112.67 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 p -119.72 120.72 37.4 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.949 -0.569 . . . . 74.13 111.165 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.578 ' HA ' ' OE2' ' A' ' 22' ' ' GLU . 2.5 pp -65.54 151.22 46.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.77 -0.65 . . . . 74.54 112.044 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.404 ' HB2' ' OE1' ' A' ' 22' ' ' GLU . 9.4 ttt -65.49 151.26 46.81 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.95 -0.568 . . . . 54.23 111.655 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -145.05 -80.61 0.04 OUTLIER Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.829 -0.623 . . . . 64.12 112.485 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.36 90.16 0.08 OUTLIER Glycine 0 C--N 1.337 0.618 0 C-N-CA 121.408 -0.425 . . . . 74.41 112.61 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -129.15 132.82 47.39 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.645 0.262 . . . . 65.14 110.766 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -128.79 -36.88 1.79 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.89 -0.595 . . . . 72.24 111.479 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.37 -143.49 12.5 Favored Glycine 0 C--N 1.341 0.835 0 O-C-N 123.385 0.428 . . . . 61.51 112.832 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.78 93.19 2.48 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.351 0.596 . . . . 72.42 110.615 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -87.91 -18.73 28.52 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.254 -0.884 . . . . 62.44 112.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.12 -27.13 30.38 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.027 0.38 . . . . 61.45 112.027 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.08 -10.17 53.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.287 0.367 . . . . 75.34 111.881 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.9 -7.78 55.45 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.417 -0.356 . . . . 72.2 111.868 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.81 -39.09 11.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.434 -0.348 . . . . 75.13 111.074 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.9 mp 65.63 127.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.782 0.833 . . . . 42.53 110.969 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.0 p -100.31 150.88 22.12 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.766 -0.652 . . . . 74.35 111.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.17 148.24 24.82 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.896 -0.593 . . . . 72.22 110.946 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.56 149.06 49.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.896 -0.593 . . . . 63.32 110.929 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.57 147.42 50.34 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.924 -0.58 . . . . 74.13 111.166 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.37 145.28 37.81 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.662 0.601 . . . . 73.5 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 p -103.61 -47.53 4.22 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.853 -0.612 . . . . 73.42 111.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 63.32 127.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.951 0.9 . . . . 53.12 112.073 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 63.04 127.06 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.016 0.926 . . . . 72.15 112.101 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -117.74 131.53 56.59 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.834 -0.621 . . . . 75.03 110.83 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.53 124.25 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.856 0.862 . . . . 71.34 112.242 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.7 -43.4 5.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.871 -0.604 . . . . 72.43 111.483 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -129.32 138.75 51.76 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.411 0.444 . . . . 73.4 110.547 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 100.15 90.17 2.04 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.83 -0.623 . . . . 71.42 112.578 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.5 tp -118.41 130.21 73.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 123.642 0.26 . . . . 71.42 110.628 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -133.24 -42.27 0.88 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.787 -0.642 . . . . 74.34 111.193 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.18 150.09 22.42 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.452 0.47 . . . . 75.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.07 -0.967 . . . . 75.3 110.921 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.482 0.182 . . . . 74.15 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 tp -100.5 -46.18 5.3 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.983 -0.553 . . . . 73.21 110.86 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -65.67 -40.85 92.84 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.917 0.487 . . . . 71.34 112.259 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -99.42 146.54 26.21 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.467 0.48 . . . . 73.23 110.991 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.401 ' HB3' HH21 ' A' ' 19' ' ' ARG . 90.4 m-85 -108.75 145.92 34.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.908 -0.587 . . . . 72.22 110.777 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.34 150.74 8.1 Favored Glycine 0 C--N 1.337 0.625 0 O-C-N 123.723 0.639 . . . . 72.24 112.445 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.598 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 1.1 mp0 -104.05 151.78 22.84 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.918 0.39 . . . . 74.33 111.469 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.78 -10.56 20.66 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.281 -0.872 . . . . 71.04 110.932 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -89.89 82.38 1.4 Allowed Glycine 0 C--N 1.34 0.805 0 CA-C-N 116.006 -0.543 . . . . 63.22 113.064 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -69.93 158.81 34.89 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.098 0.559 . . . . 75.44 111.561 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 26.0 t -80.66 109.68 15.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 121.292 0.568 . . . . 74.54 111.102 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.93 -13.25 59.39 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.105 1.15 . . . . 62.14 114.105 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.5 p -92.84 -50.91 5.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.293 0.479 . . . . 73.32 112.293 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.8 p -100.1 6.14 44.94 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 111.831 0.308 . . . . 65.02 111.831 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 43.5 45.06 5.38 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.556 1.142 . . . . 63.35 112.78 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -120.26 152.1 38.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.491 -0.777 . . . . 72.21 110.446 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -65.56 122.83 18.13 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.899 -0.591 . . . . 73.24 111.754 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.598 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 33.9 mt -85.91 98.19 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 109.11 -0.7 . . . . 73.32 109.11 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 20' ' ' ALA . 2.6 tmt_? -148.23 157.19 43.35 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.286 -0.87 . . . . 73.25 111.617 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' N ' ' HD3' ' A' ' 19' ' ' ARG . . . 56.5 -71.18 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.858 1.263 . . . . 73.32 114.382 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' ' HG3' ' A' ' 23' ' ' MET . 5.7 t80 -68.13 -62.76 1.25 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.563 0.345 . . . . 62.12 111.58 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 33.62 -84.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.879 1.272 . . . . 64.3 114.158 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 64.4 mtt 51.31 35.75 14.54 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.944 0.898 . . . . 73.45 112.388 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -123.29 174.05 7.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.599 -0.728 . . . . 74.24 111.292 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.75 162.35 12.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 73.33 111.211 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -88.33 118.68 28.12 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.154 -0.475 . . . . 74.14 111.28 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.3 t -89.48 -179.19 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.613 -0.721 . . . . 61.35 109.615 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.697 ' H ' HG12 ' A' ' 27' ' ' VAL . 45.1 mmtt -51.21 -69.41 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.392 0.886 . . . . 71.52 113.392 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -120.38 -38.74 2.86 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.234 0.457 . . . . 64.13 112.234 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 78.2 mttt -104.52 131.84 51.46 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.231 0.332 . . . . 74.21 111.838 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 7.7 t -101.24 141.95 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 109.26 -0.644 . . . . 70.13 109.26 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 41.3 m-85 -133.79 147.29 51.24 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.38 -0.373 . . . . 73.03 111.547 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.749 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 39.8 m80 -65.85 164.59 14.55 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.891 -0.595 . . . . 71.24 111.235 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.3 pp -65.37 -47.52 76.12 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.485 0.184 . . . . 74.42 110.959 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.24 -28.1 68.46 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.912 -0.586 . . . . 72.11 111.273 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.749 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 21.0 m -85.98 -8.12 58.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.696 -0.683 . . . . 50.41 111.69 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -90.23 63.36 5.73 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.536 0.684 . . . . 74.33 110.261 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 96.2 mttt -120.74 165.79 14.62 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.06 -0.973 . . . . 61.52 111.138 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 45.1 t -66.12 147.14 53.79 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.391 -0.368 . . . . 74.45 111.705 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.18 -7.23 45.86 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.755 -0.657 . . . . 44.53 110.9 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -109.89 -38.04 5.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.616 -0.72 . . . . 62.42 111.733 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 m -113.05 -17.23 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.968 0.359 . . . . 72.25 111.968 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 70.14 4.4 4.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.032 0.933 . . . . 74.42 112.1 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -66.09 167.06 10.57 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.316 0.646 . . . . 63.34 111.427 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -96.36 153.19 17.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.444 -0.344 . . . . 71.44 111.305 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 7.5 m-85 -102.55 157.12 17.16 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.648 -0.705 . . . . 74.55 111.108 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.9 m -120.53 152.89 37.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.542 -0.754 . . . . 65.21 111.087 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.7 128.28 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.914 -0.585 . . . . 73.4 112.218 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.89 -17.13 35.86 Favored Glycine 0 C--N 1.337 0.626 0 O-C-N 123.648 0.593 . . . . 64.22 113.241 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 88' ' ' VAL . 8.1 m-20 -93.43 154.18 18.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.39 0.276 . . . . 71.24 111.137 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -85.26 135.99 33.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.93 -0.577 . . . . 74.23 111.233 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -124.13 163.33 21.74 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.569 0.543 . . . . 65.34 111.58 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 60' ' ' VAL . 11.1 tp -112.94 137.21 51.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.519 -0.764 . . . . 63.11 110.072 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -110.28 108.35 18.42 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.621 -0.881 . . . . 55.3 108.621 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.802 HG21 ' HE1' ' A' ' 68' ' ' TRP . 1.1 tp -118.39 175.69 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 116.053 -0.521 . . . . 70.24 110.939 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.552 ' H ' HG13 ' A' ' 55' ' ' ILE . 3.1 m-80 -51.6 -38.42 54.5 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.389 0.676 . . . . 75.13 110.753 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.702 ' H ' HG23 ' A' ' 55' ' ' ILE . 52.6 m -111.63 93.71 4.6 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.979 -1.01 . . . . 70.43 110.301 178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.5 OUTLIER 43.09 -171.27 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.337 1.455 . . . . 75.52 114.863 179.098 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 4.7 mp -84.7 133.01 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.02 -0.991 . . . . 73.24 111.626 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 53' ' ' LEU . 1.1 m -114.58 132.48 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 123.804 0.69 . . . . 72.23 109.7 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.9 p -65.56 160.31 22.69 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.24 0.83 . . . . 72.41 113.24 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -60.29 -18.05 46.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.173 0.989 . . . . 74.23 112.832 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.63 -47.17 76.52 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.051 0.389 . . . . 75.13 112.051 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.96 15.37 21.78 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.411 0.522 . . . . 42.3 112.411 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -54.97 -53.39 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 112.894 0.702 . . . . 73.54 112.894 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.526 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 56.6 t80 -59.9 -52.75 64.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.444 0.465 . . . . 70.12 112.023 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.597 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.1 mt-10 -65.39 -38.15 89.13 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.517 0.562 . . . . 63.44 112.517 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.802 ' HE1' HG21 ' A' ' 55' ' ' ILE . 48.7 t-105 -65.42 -51.85 57.39 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.708 0.403 . . . . 73.13 111.504 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.1 p -64.43 -29.67 70.72 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.022 0.439 . . . . 70.34 111.282 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 29.8 tttp -65.71 -43.14 90.03 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.162 -0.926 . . . . 73.44 111.842 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 67' ' ' GLU . 16.5 mm -85.24 -47.15 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.078 -0.51 . . . . 74.41 111.928 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -79.22 -30.0 43.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.847 0.684 . . . . 73.23 112.847 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.3 -137.29 7.85 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.297 -0.477 . . . . 72.21 112.514 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.75 -103.23 1.0 Allowed Glycine 0 C--N 1.337 0.605 0 C-N-CA 121.49 -0.386 . . . . 61.03 112.518 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 m -106.35 137.8 43.66 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.628 0.252 . . . . 52.4 110.883 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.46 100.66 0.15 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.884 -0.598 . . . . 63.22 112.452 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.19 -129.03 9.76 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 121.393 -0.432 . . . . 75.05 112.43 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.0 m -127.86 130.74 49.07 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.688 0.287 . . . . 62.24 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 142.07 123.79 1.9 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.88 -0.6 . . . . 42.13 112.474 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.11 -84.67 1.78 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 121.485 -0.388 . . . . 70.3 112.537 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.8 m -100.41 135.21 42.2 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.644 0.261 . . . . 75.44 110.939 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.33 -141.82 9.45 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.852 -0.613 . . . . 73.23 112.525 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 138.61 117.92 1.57 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.498 -0.382 . . . . 72.21 112.543 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -100.76 137.09 39.61 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.599 0.238 . . . . 73.24 110.8 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.36 148.98 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 115.898 -0.592 . . . . 64.22 109.978 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -111.97 142.07 44.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.841 -0.618 . . . . 73.44 110.836 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.7 t -97.89 142.05 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 123.583 0.552 . . . . 61.23 110.502 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 50' ' ' ASP . 4.9 t -65.36 110.26 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 116.142 -0.481 . . . . 74.03 110.796 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.27 154.98 51.52 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.74 -0.664 . . . . 65.22 113.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.35 112.12 8.43 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 122.839 0.455 . . . . 70.12 111.803 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.0 160.19 45.58 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.517 2.145 . . . . 72.51 112.823 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -104.04 115.81 31.09 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.561 0.538 . . . . 74.13 111.209 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.95 135.33 54.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.741 -0.663 . . . . 74.54 111.832 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.71 91.48 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.954 -0.566 . . . . 54.23 111.847 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.11 100.63 2.22 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.502 0.501 . . . . 64.12 112.498 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.19 -130.43 2.58 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.409 -0.424 . . . . 74.41 112.546 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.56 123.95 44.3 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.691 0.289 . . . . 65.14 111.139 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -98.48 82.42 2.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.785 -0.643 . . . . 72.24 110.515 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.46 82.06 0.3 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.104 -0.953 . . . . 61.51 112.578 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.55 12.41 33.56 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.76 0.314 . . . . 72.42 111.396 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.11 -30.25 19.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.109 -0.496 . . . . 62.44 111.773 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.66 -27.64 26.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.119 0.414 . . . . 61.45 112.119 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.17 -24.72 24.37 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.175 0.435 . . . . 75.34 112.175 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.17 -37.15 12.89 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.267 0.354 . . . . 72.2 111.742 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.497 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.6 tp -92.84 -34.94 13.64 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.39 0.431 . . . . 75.13 111.348 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 105' ' ' LEU . 1.8 pp 43.9 105.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 124.782 1.233 . . . . 42.53 113.74 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.4 p -115.98 -44.86 2.89 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.593 -0.731 . . . . 74.35 111.371 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -115.86 144.64 43.74 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.502 0.501 . . . . 72.22 110.6 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 pp -112.36 152.22 28.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.878 -0.601 . . . . 63.32 111.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -98.5 126.41 44.05 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.864 -0.607 . . . . 74.13 110.641 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -130.19 148.87 52.08 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.85 -0.614 . . . . 73.5 110.65 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 p -99.63 124.86 45.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 73.42 111.088 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -111.36 146.64 36.75 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.928 -0.578 . . . . 53.12 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -99.86 -43.31 6.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.899 -0.591 . . . . 72.15 110.974 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.01 144.92 47.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.274 -0.421 . . . . 75.03 110.549 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.64 125.13 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.894 0.878 . . . . 71.34 112.323 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.48 -42.56 6.89 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.844 -0.616 . . . . 72.43 111.51 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -117.67 -42.55 2.85 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.452 0.47 . . . . 73.4 111.2 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 109.45 106.5 3.02 Favored Glycine 0 C--N 1.34 0.761 0 O-C-N 123.373 0.42 . . . . 71.42 112.476 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 120' ' ' ILE . 2.1 pp -110.21 144.61 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.624 0.249 . . . . 71.42 111.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -118.31 141.24 48.73 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.909 -0.587 . . . . 74.34 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -98.91 -44.93 6.16 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.879 -0.6 . . . . 75.0 111.366 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.106 -0.949 . . . . 75.3 110.824 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.309 0.1 . . . . 74.15 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mt 62.45 121.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.969 0.908 . . . . 73.21 112.036 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -65.71 154.01 40.13 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.786 -0.643 . . . . 71.34 111.919 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.1 mt -96.84 136.76 36.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.029 -0.532 . . . . 73.23 111.026 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -99.78 167.12 10.74 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.712 -0.676 . . . . 72.22 110.909 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.66 -153.23 6.83 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 116.228 -0.442 . . . . 72.24 112.884 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.422 ' HB2' HG22 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -123.03 153.22 40.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.92 0.391 . . . . 74.33 111.68 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -123.5 -11.88 7.79 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.151 -0.931 . . . . 71.04 110.547 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.593 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -97.08 90.26 1.11 Allowed Glycine 0 C--N 1.339 0.728 0 CA-C-N 115.606 -0.725 . . . . 63.22 112.613 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 16' ' ' LYS . 5.0 mp -55.54 158.97 3.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.016 0.927 . . . . 75.44 112.14 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 43.0 t -66.36 120.9 14.11 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 121.306 0.575 . . . . 74.54 111.128 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.554 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.84 -15.05 62.55 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.804 -1.089 . . . . 62.14 113.191 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -98.23 -40.46 8.35 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.127 0.417 . . . . 73.32 112.127 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 m -97.92 -26.74 14.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.683 0.623 . . . . 65.02 112.683 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 66.05 31.02 9.26 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 63.35 110.621 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.499 ' C ' HD23 ' A' ' 10' ' ' LEU . 90.4 mttt -103.31 156.42 17.75 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.216 -0.902 . . . . 72.21 110.359 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.2 108.95 2.04 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.06 -0.518 . . . . 73.24 110.943 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.686 HG23 ' HG3' ' A' ' 22' ' ' GLU . 10.3 mt -73.89 97.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.495 -0.557 . . . . 73.32 109.495 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -148.92 166.87 27.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.431 -0.804 . . . . 73.25 112.04 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 35.92 -76.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.523 1.675 . . . . 73.32 115.523 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -69.04 7.43 0.71 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.097 0.559 . . . . 62.12 112.219 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.686 ' HG3' HG23 ' A' ' 18' ' ' ILE . 1.8 mm-40 -88.76 83.66 6.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 123.883 1.801 . . . . 64.3 111.721 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.871 ' HB3' ' H ' ' A' ' 93' ' ' LEU . 19.1 mmt -100.44 82.39 2.47 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 110.237 -3.165 . . . . 73.45 104.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.4 t -157.66 -172.82 4.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.41 -0.813 . . . . 74.24 112.261 -172.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.54 ' HB2' ' N ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -113.78 165.43 12.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.386 -0.825 . . . . 73.33 111.85 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.743 ' H ' ' H ' ' A' ' 90' ' ' GLU . 46.5 mtt180 -105.95 130.73 53.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.942 -0.572 . . . . 74.14 110.758 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.6 t -92.28 -178.93 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.658 -0.701 . . . . 61.35 109.795 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.641 ' H ' HG12 ' A' ' 27' ' ' VAL . 30.0 mtpt -47.09 -62.05 1.6 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.745 1.017 . . . . 71.52 113.745 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.43 -38.75 2.85 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.119 0.414 . . . . 64.13 112.119 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 79.6 mttt -99.52 155.06 17.77 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.457 0.473 . . . . 74.21 111.641 -178.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 6.7 t -120.07 141.15 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 109.087 -0.708 . . . . 70.13 109.087 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 77.7 m-85 -131.72 151.24 51.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.26 0.35 . . . . 73.03 111.669 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.851 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 45.1 m80 -65.45 171.22 4.15 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.208 0.603 . . . . 71.24 111.377 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HB3' ' O ' ' A' ' 23' ' ' MET . 2.7 pp -65.24 -46.1 81.92 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 120.749 0.309 . . . . 74.42 111.009 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -66.3 -21.25 66.26 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.692 -0.685 . . . . 72.11 111.052 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.851 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 3.7 m -94.82 5.82 50.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.26 -0.882 . . . . 50.41 111.594 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HZ ' ' CE1' ' A' ' 52' ' ' TYR . 13.7 t80 -122.41 64.0 0.95 Allowed 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.372 0.606 . . . . 74.33 110.224 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -120.57 159.5 25.11 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.577 -0.738 . . . . 61.52 111.534 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 21.0 t -66.06 146.69 54.38 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.859 -0.609 . . . . 74.45 111.719 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.99 -3.74 58.88 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.662 0.616 . . . . 44.53 112.662 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HB2' ' CE3' ' A' ' 68' ' ' TRP . . . -117.16 -47.56 2.67 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.161 0.43 . . . . 62.42 112.161 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.63 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 17.6 p -109.11 -6.76 15.49 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.033 0.382 . . . . 72.25 112.033 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 15.4 mm-40 63.16 16.35 9.3 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.994 0.918 . . . . 74.42 113.196 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.63 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 34.0 tttp -65.73 161.76 20.04 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.642 0.377 . . . . 63.34 111.777 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -96.87 154.34 17.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.798 -0.637 . . . . 71.44 110.78 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -110.93 146.64 36.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 74.55 111.295 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.471 ' O ' HG21 ' A' ' 88' ' ' VAL . 51.7 m -121.59 161.53 22.23 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.779 -1.1 . . . . 65.21 111.407 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 m -65.53 129.11 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 112.602 0.594 . . . . 73.4 112.602 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.73 6.36 37.93 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 115.71 -0.677 . . . . 64.22 113.552 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.4 t70 -115.25 154.72 28.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.77 0.285 . . . . 71.24 110.874 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -97.43 130.2 44.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.86 -0.609 . . . . 74.23 110.518 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CE1' ' HZ ' ' A' ' 37' ' ' PHE . 44.6 p90 -126.04 157.46 37.88 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.378 0.424 . . . . 65.34 111.682 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.75 130.66 56.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.371 -0.832 . . . . 63.11 109.801 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.56 105.74 17.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.983 -0.553 . . . . 55.3 110.141 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -86.64 176.1 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.63 -0.713 . . . . 70.24 110.954 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.418 ' H ' HG13 ' A' ' 55' ' ' ILE . 17.3 m-80 -47.93 -35.81 11.28 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.673 0.99 . . . . 75.13 113.673 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.507 ' H ' HG23 ' A' ' 55' ' ' ILE . 18.0 t -105.52 -75.28 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.969 0.359 . . . . 70.43 111.969 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.598 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.6 m-20 -120.48 -166.41 1.32 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.252 0.221 . . . . 75.52 111.592 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.2 mp -89.94 142.79 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 122.846 0.459 . . . . 73.24 110.419 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 68' ' ' TRP . 21.8 t -120.3 118.57 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 O-C-N 123.6 0.562 . . . . 72.23 109.994 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.3 p -60.75 159.58 10.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.268 -0.424 . . . . 72.41 112.026 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 65' ' ' ILE . 42.4 mt-10 -64.38 -18.4 64.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.824 -0.625 . . . . 74.23 112.678 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -51.94 53.11 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.194 0.442 . . . . 75.13 112.194 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' A' ' 41' ' ' ALA . 2.1 p30 -110.77 15.13 22.08 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.756 0.65 . . . . 42.3 112.756 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.08 -49.06 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.77 0.656 . . . . 73.54 112.77 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.559 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 63.7 t80 -57.88 -53.42 58.43 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.965 0.728 . . . . 70.12 112.965 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.29 -39.03 92.01 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.261 0.467 . . . . 63.44 112.261 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.485 ' HE1' HG12 ' A' ' 55' ' ' ILE . 51.2 t-105 -65.47 -45.85 82.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.834 0.453 . . . . 73.13 111.283 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.6 p -62.98 -29.72 71.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.988 -0.551 . . . . 70.34 111.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 66' ' ' TYR . 41.7 mtmt -65.73 -40.87 92.61 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.917 -0.583 . . . . 73.44 112.177 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.2 mm -84.31 -47.03 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.568 -0.742 . . . . 74.41 111.904 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -79.81 -29.97 40.37 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.811 0.671 . . . . 73.23 112.811 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.94 16.37 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.315 -0.469 . . . . 72.21 112.64 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 158.98 67.15 0.01 OUTLIER Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.492 -0.385 . . . . 61.03 112.469 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.0 m -127.76 -42.74 1.58 Allowed 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.656 0.268 . . . . 52.4 111.318 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.97 -81.3 0.28 Allowed Glycine 0 C--N 1.34 0.755 0 O-C-N 123.434 0.459 . . . . 63.22 112.546 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.09 64.13 0.01 OUTLIER Glycine 0 C--N 1.337 0.632 0 C-N-CA 121.462 -0.399 . . . . 75.05 112.465 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -127.77 137.84 52.55 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.304 0.241 . . . . 62.24 110.717 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.46 -86.01 0.29 Allowed Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.847 -0.615 . . . . 42.13 112.453 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -147.92 -76.89 0.02 OUTLIER Glycine 0 C--N 1.337 0.613 0 C-N-CA 121.423 -0.417 . . . . 70.3 112.465 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -101.01 132.02 46.62 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.64 0.259 . . . . 75.44 110.839 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -118.72 -72.44 0.4 Allowed Glycine 0 C--N 1.336 0.58 0 CA-C-N 115.902 -0.59 . . . . 73.23 112.527 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.94 75.03 0.24 Allowed Glycine 0 C--N 1.337 0.61 0 C-N-CA 121.5 -0.381 . . . . 72.21 112.517 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -111.51 137.26 49.56 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.355 0.262 . . . . 73.24 110.862 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.6 t -125.58 137.05 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 115.835 -0.621 . . . . 64.22 109.904 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 38.4 mmt -110.07 139.88 44.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.703 -0.681 . . . . 73.44 110.743 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.81 150.11 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 115.794 -0.639 . . . . 61.23 111.021 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 50' ' ' ASP . 58.4 t -58.41 109.96 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.795 -0.639 . . . . 74.03 111.008 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.54 ' N ' ' HB2' ' A' ' 25' ' ' MET . . . -66.28 -120.51 0.01 OUTLIER Glycine 0 C--N 1.345 1.052 0 CA-C-N 114.989 -1.005 . . . . 65.22 115.266 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.743 ' H ' ' H ' ' A' ' 26' ' ' ARG . 6.8 mm-40 -52.84 168.9 0.31 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 124.236 1.014 . . . . 70.12 113.034 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -96.91 170.48 0.89 Allowed 'Trans proline' 0 C--N 1.375 1.958 0 N-CA-C 117.686 2.148 . . . . 72.51 117.686 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 23' ' ' MET . 29.7 p -100.2 167.04 10.69 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 110.507 -3.042 . . . . 74.13 105.984 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.871 ' H ' ' HB3' ' A' ' 23' ' ' MET . 1.5 pp -38.77 97.87 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.405 1.097 . . . . 74.54 113.54 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 37.2 mtt -65.92 -43.87 86.82 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 113.529 -1.669 . . . . 54.23 112.18 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.6 -102.14 0.2 Allowed Glycine 0 C--N 1.34 0.803 0 O-C-N 123.535 0.522 . . . . 64.12 112.479 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.0 -68.97 0.02 OUTLIER Glycine 0 C--N 1.337 0.632 0 C-N-CA 121.382 -0.437 . . . . 74.41 112.677 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -98.88 144.2 28.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.282 0.233 . . . . 65.14 111.067 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -130.39 -44.56 1.12 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.878 -0.601 . . . . 72.24 111.237 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.39 141.61 12.44 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.361 0.413 . . . . 61.51 112.499 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -136.89 87.79 2.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.266 0.555 . . . . 72.42 110.883 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.28 -19.28 26.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.334 -0.848 . . . . 62.44 111.955 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -84.66 -17.22 39.26 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.429 0.529 . . . . 61.45 112.429 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -86.18 -18.42 32.24 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.211 0.449 . . . . 75.34 112.211 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -88.17 -29.44 20.52 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 111.949 0.351 . . . . 72.2 111.949 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.3 tt -93.84 -39.85 10.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.334 -0.394 . . . . 75.13 111.036 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 105' ' ' LEU . 2.1 pp 44.52 112.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 124.986 1.314 . . . . 42.53 114.119 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.1 p -125.14 143.5 50.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.579 -0.737 . . . . 74.35 111.024 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -109.66 149.6 29.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.984 -0.553 . . . . 72.22 110.999 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.85 140.09 50.2 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.844 -0.616 . . . . 63.32 110.98 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.83 147.31 37.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.902 -0.59 . . . . 74.13 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -108.62 150.19 27.86 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.846 -0.616 . . . . 73.5 110.885 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.3 p -98.4 -52.74 3.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.065 -0.516 . . . . 73.42 111.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 61.47 125.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.926 0.891 . . . . 53.12 112.115 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -108.53 118.57 37.13 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.858 -0.61 . . . . 72.15 110.539 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.73 149.42 46.46 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.803 -0.635 . . . . 75.03 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -118.72 121.77 40.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.969 -0.56 . . . . 71.34 111.036 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.78 -43.23 5.62 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.855 -0.612 . . . . 72.43 111.591 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.82 150.24 22.55 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.37 0.419 . . . . 73.4 110.901 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -145.02 146.05 15.99 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.813 -0.631 . . . . 71.42 112.405 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -108.0 146.72 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 O-C-N 123.621 0.248 . . . . 71.42 111.327 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -129.02 130.92 47.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.877 -0.601 . . . . 74.34 110.847 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -102.59 142.02 34.45 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.953 -0.567 . . . . 75.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 N--CA 1.483 1.215 0 C-N-CA 123.925 0.89 . . . . 75.3 112.062 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.379 0.133 . . . . 74.15 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.9 mt -99.96 127.54 46.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.27 -0.423 . . . . 73.21 110.943 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.71 143.7 57.37 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.908 -0.587 . . . . 71.34 111.947 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt -129.8 -38.93 1.45 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.676 0.61 . . . . 73.23 111.241 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -91.79 144.62 25.31 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.413 0.446 . . . . 72.22 111.67 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.7 -109.37 0.79 Allowed Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.343 -0.844 . . . . 72.24 111.873 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.25 152.9 52.06 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.82 0.343 . . . . 74.33 110.823 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -108.78 -10.01 15.17 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.436 -0.802 . . . . 71.04 111.222 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.573 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -108.41 98.17 1.18 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 116.036 -0.529 . . . . 63.22 113.026 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mp -85.5 158.98 20.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.854 0.461 . . . . 75.44 110.513 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 49.9 t -62.63 129.52 40.93 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.535 0.569 . . . . 74.54 112.535 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.23 69.55 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.862 -1.063 . . . . 62.14 112.833 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -92.84 -53.71 4.05 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.266 0.354 . . . . 73.32 111.546 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 16' ' ' LYS . 3.2 p -106.85 160.95 15.12 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.177 0.298 . . . . 65.02 110.747 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.62 55.41 3.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.315 0.579 . . . . 63.35 110.718 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.606 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 89.0 mttt -120.81 129.57 53.62 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.512 -0.767 . . . . 72.21 110.929 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.57 132.66 49.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.945 -0.57 . . . . 73.24 111.49 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.573 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 22.1 mt -74.2 129.91 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.026 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' H ' ' CG ' ' A' ' 22' ' ' GLU . 26.3 mmt180 -130.61 -174.41 3.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.174 -0.467 . . . . 73.25 111.894 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' MET . . . -56.37 -45.41 80.53 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.372 0.878 . . . . 73.32 113.372 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -71.81 -32.51 67.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.753 0.311 . . . . 62.12 110.604 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.662 ' O ' HD23 ' A' ' 34' ' ' LEU . 5.5 mm-40 -60.11 -34.14 73.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.469 -0.787 . . . . 64.3 112.553 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 73.6 mtm 33.88 104.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.481 1.112 . . . . 73.45 113.218 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 p -123.34 139.82 53.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 74.24 112.0 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 27' ' ' VAL . 2.0 ppp? -95.58 167.67 11.16 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.187 -0.915 . . . . 73.33 110.81 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.11 110.93 18.87 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.925 0.393 . . . . 74.14 111.127 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 25' ' ' MET . 1.6 t -96.96 -178.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.572 -0.74 . . . . 61.35 109.562 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.626 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.8 mttt -52.8 -69.66 0.11 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.728 0.64 . . . . 71.52 112.728 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -120.83 -42.44 2.51 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.051 0.389 . . . . 64.13 112.051 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 71.6 mttt -112.26 143.18 43.76 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.348 0.405 . . . . 74.21 111.952 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.3 t -101.01 145.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 115.678 -0.692 . . . . 70.13 109.2 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -133.55 152.22 51.86 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.285 0.476 . . . . 73.03 112.285 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.603 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 5.5 m170 -65.66 159.29 25.21 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.387 -0.824 . . . . 71.24 112.212 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 22' ' ' GLU . 3.1 pp -66.1 -47.87 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 110.314 -0.254 . . . . 74.42 110.314 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.49 -32.98 74.88 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.522 . . . . 72.11 111.46 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 20.9 m -84.08 -4.0 58.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.921 -0.581 . . . . 50.41 111.647 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 22.3 t80 -94.62 60.18 2.54 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.491 0.663 . . . . 74.33 109.794 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 43' ' ' GLN . 98.9 mttt -120.14 164.13 16.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.149 -0.932 . . . . 61.52 111.326 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 31.0 t -65.99 147.08 53.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.821 0.448 . . . . 74.45 111.873 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.88 -5.02 57.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.996 -0.547 . . . . 44.53 111.268 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.78 -40.93 3.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.836 -0.62 . . . . 62.42 111.672 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 m -105.77 -19.03 13.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.388 0.43 . . . . 72.25 111.906 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.5 mp0 69.41 2.51 3.75 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.073 0.949 . . . . 74.42 112.031 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -66.32 163.82 17.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.133 0.573 . . . . 63.34 111.231 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -94.81 152.41 18.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.291 -0.413 . . . . 71.44 111.374 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.55 145.4 29.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.514 -0.766 . . . . 74.55 111.139 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.7 t -120.77 159.43 25.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.259 -0.882 . . . . 65.21 110.989 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 88' ' ' VAL . 4.0 m -65.77 143.18 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.086 -0.506 . . . . 73.4 112.253 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -33.65 6.15 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 123.616 0.572 . . . . 64.22 113.197 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.02 148.64 22.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.316 0.246 . . . . 71.24 111.377 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.23 143.43 31.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.751 -0.659 . . . . 74.23 111.011 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -130.81 155.21 47.08 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.304 0.377 . . . . 65.34 111.713 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.4 tp -111.5 132.52 54.44 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.7 -0.682 . . . . 63.11 109.651 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -95.93 111.24 23.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.912 -0.585 . . . . 55.3 110.297 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -89.23 175.98 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.763 -0.653 . . . . 70.24 110.786 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -48.06 -35.09 10.57 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.797 1.036 . . . . 75.13 113.797 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.495 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.2 m -120.15 -56.13 2.02 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.867 0.692 . . . . 70.43 112.867 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.6 m-20 -120.23 -162.33 0.93 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.007 0.373 . . . . 75.52 112.007 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -109.93 143.36 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.932 0.493 . . . . 73.24 109.827 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 68' ' ' TRP . 6.0 t -120.35 126.33 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 123.488 0.493 . . . . 72.23 110.024 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.3 158.59 25.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.107 -0.497 . . . . 72.41 112.175 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.0 mt-10 -58.59 -18.21 28.2 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.299 0.851 . . . . 74.23 113.299 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -65.74 -52.25 52.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.286 0.476 . . . . 75.13 112.286 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.66 15.34 22.05 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.049 0.388 . . . . 42.3 112.049 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.46 -47.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.123 0.569 . . . . 73.54 112.392 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.42 -51.67 58.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.921 0.488 . . . . 70.12 111.879 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.64 ' O ' HD12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -64.39 -45.05 89.32 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.615 0.598 . . . . 63.44 112.615 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.534 ' CD1' HG21 ' A' ' 60' ' ' VAL . 52.9 t-105 -60.94 -45.81 93.2 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.557 0.343 . . . . 73.13 111.807 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 p -67.03 -28.79 68.52 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 70.34 111.178 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.46 -43.5 94.05 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.058 -0.974 . . . . 73.44 111.985 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 67' ' ' GLU . 2.8 mp -84.86 -47.4 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.382 0.426 . . . . 74.41 111.834 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -74.68 -29.85 61.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.896 0.702 . . . . 73.23 112.896 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.8 -117.97 6.04 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 121.282 -0.485 . . . . 72.21 112.543 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.2 96.97 1.39 Allowed Glycine 0 C--N 1.336 0.539 0 C-N-CA 121.404 -0.427 . . . . 61.03 112.481 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.3 p 62.14 -63.03 0.1 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.972 1.309 . . . . 52.4 112.902 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.51 -138.14 6.67 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 121.525 -0.369 . . . . 63.22 112.483 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.36 -77.41 0.02 OUTLIER Glycine 0 C--N 1.336 0.574 0 C-N-CA 121.432 -0.413 . . . . 75.05 112.427 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 t -108.57 130.84 55.29 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 122.313 0.245 . . . . 62.24 110.738 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.53 64.49 0.47 Allowed Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.955 -0.566 . . . . 42.13 112.487 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.98 97.19 1.65 Allowed Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.45 -0.405 . . . . 70.3 112.419 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -107.22 -41.73 5.05 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.708 0.299 . . . . 75.44 111.396 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -99.13 -156.46 28.99 Favored Glycine 0 C--N 1.34 0.796 0 O-C-N 123.451 0.47 . . . . 73.23 112.606 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.65 112.96 1.89 Allowed Glycine 0 C--N 1.338 0.661 0 C-N-CA 121.423 -0.418 . . . . 72.21 112.397 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.0 142.55 31.33 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.675 0.28 . . . . 73.24 110.945 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.54 143.62 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 115.893 -0.594 . . . . 64.22 109.886 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.1 mtt -120.11 152.79 37.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.944 -0.571 . . . . 73.44 111.621 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.74 152.81 3.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.603 -0.726 . . . . 61.23 110.411 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -65.33 112.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 116.264 -0.425 . . . . 74.03 110.907 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.86 144.18 46.3 Favored Glycine 0 C--N 1.341 0.816 0 CA-C-N 115.596 -0.729 . . . . 65.22 113.789 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -66.05 114.57 17.14 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 122.947 0.499 . . . . 70.12 111.453 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.62 151.76 83.54 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.564 2.176 . . . . 72.51 112.95 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.5 p -120.04 118.27 30.18 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.98 -0.555 . . . . 74.13 111.245 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -65.89 146.77 54.34 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.853 -0.612 . . . . 74.54 111.598 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.495 ' N ' HD23 ' A' ' 93' ' ' LEU . 88.6 mtp -65.53 -44.45 86.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.116 -0.493 . . . . 54.23 112.259 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.47 ' H ' HD23 ' A' ' 93' ' ' LEU . . . 110.75 77.09 0.88 Allowed Glycine 0 C--N 1.34 0.751 0 O-C-N 123.453 0.471 . . . . 64.12 112.542 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.97 112.84 0.94 Allowed Glycine 0 C--N 1.338 0.668 0 C-N-CA 121.413 -0.423 . . . . 74.41 112.492 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.85 23.85 6.14 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.932 0.396 . . . . 65.14 111.35 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -101.05 98.4 8.85 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.884 -0.598 . . . . 72.24 110.834 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.93 76.55 0.11 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.43 -0.805 . . . . 61.51 112.525 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.26 10.53 15.98 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.71 0.29 . . . . 72.42 111.469 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.01 -41.32 13.19 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.072 -0.513 . . . . 62.44 111.784 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.57 -20.76 30.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.146 -0.479 . . . . 61.45 112.177 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -87.08 -25.12 24.33 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.97 0.359 . . . . 75.34 111.97 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.08 -14.58 27.11 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.182 0.438 . . . . 72.2 112.182 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.57 -66.46 0.91 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.084 0.24 . . . . 75.13 111.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.9 pp -150.38 136.11 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.445 0.298 . . . . 42.53 111.509 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.9 p -129.42 117.88 21.26 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.877 -0.601 . . . . 74.35 110.906 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -132.93 147.92 52.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.867 -0.606 . . . . 72.22 110.685 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 pp -130.54 140.61 50.48 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.816 -0.629 . . . . 63.32 110.987 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -128.48 146.62 50.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.051 -0.522 . . . . 74.13 110.962 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 62.87 125.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.935 0.894 . . . . 73.5 112.134 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -106.12 140.69 38.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.828 -0.623 . . . . 73.42 111.02 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -128.11 146.2 50.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.965 -0.561 . . . . 53.12 110.937 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -100.57 153.32 19.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.808 -0.633 . . . . 72.15 110.996 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -95.22 145.34 25.12 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.949 -0.568 . . . . 75.03 111.007 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.08 151.78 20.58 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.797 -0.638 . . . . 71.34 111.258 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -95.2 -39.88 9.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.875 -0.602 . . . . 72.43 111.646 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -98.56 130.62 45.12 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.404 0.44 . . . . 73.4 110.845 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 131.19 56.68 0.09 OUTLIER Glycine 0 C--N 1.337 0.595 0 CA-C-N 115.792 -0.64 . . . . 71.42 112.404 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.494 HG13 ' H ' ' A' ' 122' ' ' ASP . 2.9 tp -99.62 150.51 5.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 122.312 0.245 . . . . 71.42 110.65 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.83 -9.19 15.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.057 -0.52 . . . . 74.34 112.017 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.494 ' H ' HG13 ' A' ' 120' ' ' ILE . 8.3 m-20 -88.63 -42.56 11.95 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.127 0.267 . . . . 75.0 111.7 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.146 -0.93 . . . . 75.3 110.916 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.355 0.121 . . . . 74.15 111.248 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 3.9 mm? -100.2 137.74 38.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.272 -0.422 . . . . 73.21 110.789 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -65.7 -40.8 92.65 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.948 -0.569 . . . . 71.34 112.122 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.7 tp -129.21 148.07 51.11 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.386 0.429 . . . . 73.23 110.786 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 2' ' ' LEU . 89.2 m-85 -128.69 2.69 5.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.774 -0.648 . . . . 72.22 111.55 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.51 -134.96 8.03 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 116.032 -0.531 . . . . 72.24 112.272 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.33 149.17 25.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.766 0.317 . . . . 74.33 111.314 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.29 -11.16 21.51 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.381 -0.827 . . . . 71.04 111.419 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.549 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -85.02 78.98 1.95 Allowed Glycine 0 C--N 1.342 0.896 0 CA-C-N 116.346 -0.388 . . . . 63.22 113.311 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.46 158.98 30.53 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.043 0.537 . . . . 75.44 111.265 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 38.6 t -68.88 134.36 49.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.135 0.493 . . . . 74.54 112.307 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' A' ' 30' ' ' LYS . . . -66.02 -34.72 78.74 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.93 -1.032 . . . . 62.14 112.694 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 t -89.56 -53.72 4.4 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.351 0.407 . . . . 73.32 111.511 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 5.6 p -102.41 154.53 18.99 Favored 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.177 0.298 . . . . 65.02 110.66 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.38 52.21 2.3 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.356 0.598 . . . . 63.35 110.796 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -120.79 133.16 55.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.508 -0.769 . . . . 72.21 110.226 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -65.26 128.4 35.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.4 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.549 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 11.3 mt -71.96 98.66 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.222 0.534 . . . . 73.32 109.861 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' TYR . 77.7 mtp180 -148.39 152.79 37.62 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.226 -0.897 . . . . 73.25 111.391 -178.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 46.64 -73.23 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.796 1.238 . . . . 73.32 113.964 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.513 ' HD1' ' O ' ' A' ' 21' ' ' TYR . 1.2 t80 -84.66 27.73 0.71 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.553 0.692 . . . . 62.12 111.183 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HB3' HG23 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -64.87 -63.99 0.98 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.6 -0.727 . . . . 64.3 111.404 178.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.467 ' O ' HD11 ' A' ' 34' ' ' LEU . 62.9 mtt 36.85 46.89 0.52 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.467 1.107 . . . . 73.45 112.927 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 t -119.34 165.93 13.68 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.544 -0.753 . . . . 74.24 111.689 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.471 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -110.44 165.41 11.81 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.353 -0.839 . . . . 73.33 110.731 178.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -85.03 118.0 24.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.821 0.343 . . . . 74.14 111.577 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.707 HG12 ' H ' ' A' ' 28' ' ' LYS . 2.4 t -94.85 -178.86 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.413 -0.812 . . . . 61.35 109.461 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.707 ' H ' HG12 ' A' ' 27' ' ' VAL . 62.1 mttm -44.85 -64.57 0.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.972 1.101 . . . . 71.52 113.972 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.44 -43.2 2.51 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.492 0.553 . . . . 64.13 112.492 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 68.1 mttt -117.47 156.23 28.35 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.248 0.342 . . . . 74.21 111.842 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 25' ' ' MET . 4.3 t -105.82 147.55 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.8 -0.636 . . . . 70.13 109.817 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -130.5 141.06 50.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.155 -0.475 . . . . 73.03 111.456 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.715 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 24.2 m80 -65.74 164.96 13.54 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.807 0.443 . . . . 71.24 110.837 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 23' ' ' MET . 4.7 mp -65.14 -49.73 68.74 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.705 0.288 . . . . 74.42 110.522 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.4 -26.0 67.04 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.675 -0.693 . . . . 72.11 111.513 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.715 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 19.6 m -90.12 -7.69 53.11 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.756 -0.656 . . . . 50.41 111.841 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -91.11 55.71 2.95 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.38 0.61 . . . . 74.33 110.674 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.11 160.41 23.76 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.308 -0.86 . . . . 61.52 111.669 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 14.4 t -66.26 146.96 54.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.905 -0.588 . . . . 74.45 111.555 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -5.78 38.47 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.041 -0.527 . . . . 44.53 111.974 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.29 -50.02 3.58 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.853 0.316 . . . . 62.42 111.853 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 27.6 p -108.48 -4.65 17.09 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.196 0.31 . . . . 72.25 111.663 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.538 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.4 mm-40 65.09 11.1 6.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.195 0.998 . . . . 74.42 113.069 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.56 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 33.9 tttp -66.07 161.72 21.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.607 0.363 . . . . 63.34 111.305 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -101.65 150.97 22.56 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.939 -0.573 . . . . 71.44 110.888 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -104.34 138.43 40.78 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.665 -0.698 . . . . 74.55 110.9 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -120.54 164.42 16.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.455 -0.793 . . . . 65.21 110.861 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.51 137.33 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.831 0.452 . . . . 73.4 112.125 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.99 -29.42 10.26 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 115.847 -0.615 . . . . 64.22 113.066 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -93.05 152.13 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.412 0.285 . . . . 71.24 111.143 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 12.2 ptp180 -88.22 135.84 33.26 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.921 -0.581 . . . . 74.23 111.613 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -123.41 153.47 40.37 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.941 -0.572 . . . . 65.34 111.237 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 tt -116.05 126.89 54.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.579 -0.737 . . . . 63.11 109.747 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -88.82 113.31 24.24 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.893 -0.594 . . . . 55.3 110.884 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -91.38 176.23 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 115.712 -0.676 . . . . 70.24 110.666 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -47.87 -34.65 9.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.9 1.074 . . . . 75.13 113.9 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.501 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.6 m -120.1 -57.49 1.94 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.965 0.728 . . . . 70.43 112.965 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.61 ' O ' HG22 ' A' ' 55' ' ' ILE . 7.4 m-20 -120.26 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.08 0.4 . . . . 75.52 112.08 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.3 mp -106.23 137.1 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 122.856 0.463 . . . . 73.24 109.859 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 68' ' ' TRP . 15.8 t -120.83 126.73 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.099 -0.5 . . . . 72.23 110.417 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.19 160.14 22.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.851 -0.613 . . . . 72.41 111.858 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.648 ' O ' HG22 ' A' ' 65' ' ' ILE . 10.6 tt0 -63.84 -19.86 65.36 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.66 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -67.1 -42.27 84.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.268 -0.424 . . . . 75.13 111.762 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.64 7.09 22.21 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.628 0.603 . . . . 42.3 112.628 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -55.43 -54.53 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.219 0.822 . . . . 73.54 113.219 -178.497 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 57.3 t80 -58.05 -53.68 55.54 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.728 0.64 . . . . 70.12 112.728 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 71' ' ' ILE . 43.0 mt-10 -65.14 -39.87 93.61 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.698 0.629 . . . . 63.44 112.698 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.503 ' CD1' HG21 ' A' ' 60' ' ' VAL . 56.3 t-105 -65.38 -49.41 69.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.565 0.346 . . . . 73.13 111.444 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -64.13 -29.12 70.27 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.093 0.473 . . . . 70.34 111.08 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 45.2 tttt -65.11 -42.62 93.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.039 -0.982 . . . . 73.44 111.901 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.9 mm -84.64 -46.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 115.768 -0.651 . . . . 74.41 111.865 -179.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.39 -29.99 53.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.76 0.652 . . . . 73.23 112.76 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.44 150.57 18.89 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.365 -0.445 . . . . 72.21 112.624 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.06 140.45 10.68 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 121.485 -0.388 . . . . 61.03 112.35 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 t -99.74 140.76 33.47 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.692 0.29 . . . . 52.4 110.806 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.76 55.73 0.1 OUTLIER Glycine 0 C--N 1.337 0.613 0 O-C-N 123.667 0.604 . . . . 63.22 112.46 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.98 135.46 2.96 Favored Glycine 0 C--N 1.338 0.661 0 C-N-CA 121.406 -0.426 . . . . 75.05 112.485 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.2 m -101.05 135.59 42.26 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.617 0.245 . . . . 62.24 110.895 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.83 -95.71 0.11 Allowed Glycine 0 C--N 1.338 0.667 0 CA-C-N 115.823 -0.626 . . . . 42.13 112.482 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.24 -95.07 2.15 Favored Glycine 0 C--N 1.337 0.593 0 C-N-CA 121.432 -0.413 . . . . 70.3 112.442 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.9 p 52.87 110.24 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.425 1.09 . . . . 75.44 112.765 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.25 148.72 16.51 Favored Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.679 -0.691 . . . . 73.23 112.491 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.75 98.86 0.82 Allowed Glycine 0 C--N 1.337 0.638 0 C-N-CA 121.41 -0.424 . . . . 72.21 112.517 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.57 145.77 49.98 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.32 0.248 . . . . 73.24 110.87 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 t -124.72 139.34 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 115.914 -0.585 . . . . 64.22 109.953 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.593 ' SD ' ' HE2' ' A' ' 28' ' ' LYS . 86.8 mtp -120.08 153.31 36.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.865 -0.607 . . . . 73.44 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -91.46 153.03 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.829 -0.623 . . . . 61.23 110.371 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.1 110.34 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 116.156 -0.474 . . . . 74.03 110.786 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.09 150.62 51.9 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 115.646 -0.706 . . . . 65.22 113.767 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.84 120.03 65.7 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.001 0.52 . . . . 70.12 111.664 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.426 ' HB3' ' O ' ' A' ' 23' ' ' MET . 14.7 Cg_exo -69.8 150.56 68.16 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 72.51 112.916 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.9 p -120.25 111.73 18.16 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.595 0.559 . . . . 74.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.3 pp -66.03 125.17 24.61 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.871 -0.604 . . . . 74.54 112.08 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 64.5 mtt 40.73 -83.03 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.844 1.258 . . . . 54.23 113.87 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.35 -53.63 0.13 Allowed Glycine 0 C--N 1.343 0.933 0 C-N-CA 121.59 -0.338 . . . . 64.12 112.482 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.6 120.16 1.53 Allowed Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.544 -0.36 . . . . 74.41 112.456 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.76 149.86 24.61 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.617 0.245 . . . . 65.14 111.216 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -106.5 -43.63 4.7 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.87 -0.605 . . . . 72.24 111.194 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.03 -98.55 1.11 Allowed Glycine 0 C--N 1.341 0.83 0 O-C-N 123.402 0.439 . . . . 61.51 112.671 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 9.6 m-20 59.8 103.83 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.876 0.871 . . . . 72.42 111.812 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 43.2 mt-10 -88.23 -18.96 27.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.483 -0.781 . . . . 62.44 112.163 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.54 -21.79 30.35 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.299 0.481 . . . . 61.45 112.299 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.2 -35.23 18.68 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.013 0.375 . . . . 75.34 112.013 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 17.0 ptm180 -86.45 -10.54 53.99 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.508 0.559 . . . . 72.2 112.508 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 1.6 tt -95.6 -46.49 6.62 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.085 0.241 . . . . 75.13 111.109 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.9 pp -143.41 130.63 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 123.295 0.372 . . . . 42.53 111.348 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.2 t -146.49 127.11 14.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.834 -0.621 . . . . 74.35 110.923 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -131.88 124.35 29.34 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.833 -0.621 . . . . 72.22 110.847 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.98 151.38 51.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.76 -0.654 . . . . 63.32 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -97.76 139.45 33.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.861 -0.609 . . . . 74.13 110.852 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 45.35 104.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.769 1.228 . . . . 73.5 113.33 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -114.07 153.5 29.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.643 -0.708 . . . . 73.42 111.238 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 63.13 126.28 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.965 0.906 . . . . 53.12 112.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -127.82 144.52 51.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.721 -0.672 . . . . 72.15 110.424 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -100.02 150.96 21.91 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.967 -0.56 . . . . 75.03 110.771 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.05 -33.71 8.69 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.841 -0.618 . . . . 71.34 111.789 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.34 -38.63 14.01 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.334 0.396 . . . . 72.43 111.974 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -96.07 130.87 42.98 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.355 0.409 . . . . 73.4 110.995 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -127.32 -161.46 10.83 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.808 -0.633 . . . . 71.42 112.653 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.432 HG23 ' OD1' ' A' ' 121' ' ' ASP . 3.6 tp -120.1 151.44 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 122.347 0.259 . . . . 71.42 110.737 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.432 ' OD1' HG23 ' A' ' 120' ' ' ILE . 4.8 p-10 49.5 131.64 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 125.184 1.394 . . . . 74.34 114.063 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 71.65 -47.74 0.67 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.556 1.142 . . . . 75.0 112.549 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 118.07 -0.967 . . . . 75.3 112.046 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.493 0.187 . . . . 74.15 110.572 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 3' ' ' ARG . 2.5 tt -101.94 129.01 48.1 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.91 -0.586 . . . . 73.21 110.52 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.438 ' O ' HD23 ' A' ' 2' ' ' LEU . 99.3 mtt180 -65.75 146.09 55.2 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.842 -0.617 . . . . 71.34 112.032 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.17 141.73 48.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.916 -0.584 . . . . 73.23 110.754 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -132.1 152.74 51.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.903 -0.59 . . . . 72.22 111.025 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.09 -147.88 23.33 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 115.879 -0.601 . . . . 72.24 112.424 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.42 149.61 23.88 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.861 0.362 . . . . 74.33 111.139 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -111.41 -9.4 14.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.319 -0.855 . . . . 71.04 110.818 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.592 ' O ' HD12 ' A' ' 18' ' ' ILE . . . -96.15 86.33 0.92 Allowed Glycine 0 C--N 1.34 0.76 0 CA-C-N 115.666 -0.697 . . . . 63.22 113.091 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 16' ' ' LYS . 2.5 mp -57.39 158.76 5.31 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.532 0.733 . . . . 75.44 111.985 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 31' ' ' VAL . 49.6 t -76.17 119.1 19.62 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 121.054 0.454 . . . . 74.54 110.424 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.585 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.67 -15.85 63.18 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.543 0.942 . . . . 62.14 113.543 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -97.62 -39.02 9.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.989 0.366 . . . . 73.32 111.989 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.3 m -92.8 -23.79 18.74 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.254 0.465 . . . . 65.02 112.254 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.78 30.24 16.71 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.574 0.702 . . . . 63.35 110.079 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' C ' HD23 ' A' ' 10' ' ' LEU . 68.6 mmtt -113.05 153.43 28.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.859 -1.064 . . . . 72.21 110.802 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -65.51 115.23 5.52 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.886 -0.597 . . . . 73.24 111.077 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 9' ' ' GLY . 21.2 mt -74.43 97.32 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.261 -0.644 . . . . 73.32 109.261 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -148.34 179.8 7.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.85 -1.068 . . . . 73.25 111.844 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 53.25 -80.72 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.844 1.258 . . . . 73.32 113.874 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' A' ' 23' ' ' MET . 6.0 t80 -75.98 -56.14 4.94 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 122.499 0.32 . . . . 62.12 110.683 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 28.66 -83.21 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.179 1.392 . . . . 64.3 114.741 179.133 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 21' ' ' TYR . 63.9 mtt 49.11 48.92 20.34 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.018 0.927 . . . . 73.45 111.747 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.486 HG21 ' O ' ' A' ' 32' ' ' TYR . 21.6 p -126.02 164.0 21.8 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.485 -0.779 . . . . 74.24 112.297 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -96.83 169.15 10.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.388 -0.824 . . . . 73.33 110.616 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -87.98 120.08 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.76 0.315 . . . . 74.14 111.192 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.64 HG12 ' H ' ' A' ' 28' ' ' LYS . 1.7 t -93.45 -179.26 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.692 -0.685 . . . . 61.35 109.542 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.64 ' H ' HG12 ' A' ' 27' ' ' VAL . 97.0 mttt -53.74 -69.95 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.042 0.756 . . . . 71.52 113.042 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.65 -40.78 2.62 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.091 0.404 . . . . 64.13 112.091 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 74.8 mttt -107.15 136.6 46.72 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.409 0.443 . . . . 74.21 111.994 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 17.3 t -104.46 144.42 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.97 -0.752 . . . . 70.13 108.97 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 23.6 m-85 -132.82 151.47 52.01 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.236 -0.438 . . . . 73.03 111.15 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.886 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 47.1 m80 -65.49 161.33 20.29 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.674 0.39 . . . . 71.24 110.464 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 22' ' ' GLU . 1.8 pp -61.56 -45.23 95.03 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 111.563 0.208 . . . . 74.42 111.563 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.25 -21.75 66.3 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.284 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.886 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 5.5 m -91.8 -6.34 51.91 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.626 -0.715 . . . . 50.41 111.691 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.85 55.56 2.43 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.478 0.656 . . . . 74.33 110.071 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -120.85 160.66 22.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.165 -0.925 . . . . 61.52 111.627 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 38.1 t -66.11 147.08 53.88 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.194 0.598 . . . . 74.45 111.688 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.75 -7.98 32.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.018 -0.537 . . . . 44.53 111.941 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.98 -48.62 4.6 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.958 0.355 . . . . 62.42 111.958 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 44' ' ' LYS . 24.5 p -113.39 -2.58 13.93 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.187 0.304 . . . . 72.25 111.809 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.552 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 19.3 mm-40 64.86 12.82 8.07 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.098 0.959 . . . . 74.42 113.095 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.8 tttt -65.99 162.54 19.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.593 0.357 . . . . 63.34 111.378 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -99.9 152.74 19.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.988 -0.551 . . . . 71.44 111.104 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -105.15 143.24 33.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.723 -0.671 . . . . 74.55 111.073 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 m -120.76 160.47 23.29 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.396 -0.82 . . . . 65.21 111.259 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -65.8 133.69 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 116.053 -0.521 . . . . 73.4 112.339 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.06 -23.05 26.29 Favored Glycine 0 C--N 1.338 0.654 0 CA-C-N 115.997 -0.547 . . . . 64.22 113.515 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -94.26 150.66 20.09 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.761 0.281 . . . . 71.24 111.346 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.67 139.43 31.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.853 -0.612 . . . . 74.23 110.917 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -132.36 156.28 46.9 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.421 0.451 . . . . 65.34 111.795 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -114.62 127.45 55.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.572 -0.74 . . . . 63.11 109.418 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.76 114.83 27.48 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.981 -0.554 . . . . 55.3 110.543 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 58' ' ' ASP . 1.1 tp -90.44 176.22 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.691 -0.686 . . . . 70.24 110.73 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -47.96 -34.53 9.33 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.813 1.042 . . . . 75.13 113.813 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.479 ' H ' HG23 ' A' ' 55' ' ' ILE . 53.0 m -120.11 -56.62 1.99 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.916 0.71 . . . . 70.43 112.916 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.596 ' O ' HG22 ' A' ' 55' ' ' ILE . 6.2 m-20 -120.28 -163.49 1.01 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.058 0.392 . . . . 75.52 112.058 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 5.1 mp -109.93 143.79 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 122.723 0.409 . . . . 73.24 110.097 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 68' ' ' TRP . 11.0 t -120.2 128.92 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.926 -0.579 . . . . 72.23 109.903 179.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.19 159.44 23.59 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.917 -0.583 . . . . 72.41 112.222 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 65' ' ' ILE . 43.5 mt-10 -60.57 -22.8 64.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.005 -0.543 . . . . 74.23 111.746 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.05 -41.48 86.43 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.209 -0.45 . . . . 75.13 111.766 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -110.36 5.53 21.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.484 0.549 . . . . 42.3 112.484 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -55.72 -52.69 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 113.225 0.824 . . . . 73.54 113.225 -178.294 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 59.9 t80 -62.05 -52.26 64.66 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.599 0.592 . . . . 70.12 112.599 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.566 ' O ' HG12 ' A' ' 71' ' ' ILE . 42.9 mt-10 -65.11 -40.08 94.02 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.868 0.692 . . . . 63.44 112.868 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.535 ' CD1' HG21 ' A' ' 60' ' ' VAL . 54.5 t-105 -65.44 -52.41 53.36 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.572 0.349 . . . . 73.13 111.452 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 p -61.53 -29.16 69.82 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.147 0.499 . . . . 70.34 111.292 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 66' ' ' TYR . 7.1 tptp -65.08 -39.3 93.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.213 -0.903 . . . . 73.44 112.489 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 67' ' ' GLU . 8.8 mm -84.5 -47.58 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 113.144 0.794 . . . . 74.41 113.144 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -97.81 -30.13 12.95 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.548 0.944 . . . . 73.23 113.548 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.62 159.11 23.8 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 121.061 -0.59 . . . . 72.21 112.933 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 169.36 -106.51 0.25 Allowed Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.516 -0.373 . . . . 61.03 112.506 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.8 p 52.94 110.99 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.341 1.056 . . . . 52.4 112.82 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.77 -104.62 0.38 Allowed Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.652 -0.704 . . . . 63.22 112.535 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.55 -55.87 0.42 Allowed Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.508 -0.377 . . . . 75.05 112.495 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.9 m -99.36 -43.73 6.46 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.323 0.249 . . . . 62.24 111.254 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.62 -109.06 2.97 Favored Glycine 0 C--N 1.34 0.758 0 O-C-N 123.446 0.466 . . . . 42.13 112.566 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.5 -54.69 0.62 Allowed Glycine 0 C--N 1.337 0.592 0 C-N-CA 121.409 -0.424 . . . . 70.3 112.424 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.8 m -99.83 141.45 32.62 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.634 0.255 . . . . 75.44 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -101.29 -83.97 1.77 Allowed Glycine 0 C--N 1.337 0.613 0 O-C-N 123.7 0.625 . . . . 73.23 112.517 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.24 54.37 0.01 OUTLIER Glycine 0 C--N 1.337 0.627 0 C-N-CA 121.389 -0.434 . . . . 72.21 112.604 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.17 119.42 24.05 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.66 0.267 . . . . 73.24 110.789 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -128.48 150.66 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.813 -0.631 . . . . 64.22 109.937 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.6 mmt -116.15 146.1 42.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 73.44 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.62 147.92 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.812 -0.631 . . . . 61.23 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.6 t -65.51 111.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 116.113 -0.494 . . . . 74.03 110.917 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.94 156.96 49.17 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.786 -0.643 . . . . 65.22 113.582 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.81 137.62 96.21 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-O 119.099 -0.477 . . . . 70.12 111.577 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.68 153.87 43.78 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.45 2.1 . . . . 72.51 112.776 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 p -115.13 124.62 51.96 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.858 -0.61 . . . . 74.13 110.884 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.61 123.9 20.93 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.972 -0.558 . . . . 74.54 111.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -43.41 88.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.893 -0.594 . . . . 54.23 111.855 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.14 -91.96 0.09 OUTLIER Glycine 0 C--N 1.34 0.791 0 O-C-N 123.469 0.481 . . . . 64.12 112.466 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.24 -146.98 6.56 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 121.417 -0.42 . . . . 74.41 112.555 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.76 152.08 20.92 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.338 0.255 . . . . 65.14 110.94 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.85 -43.6 7.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.895 -0.593 . . . . 72.24 111.281 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.23 -136.35 12.56 Favored Glycine 0 C--N 1.34 0.759 0 O-C-N 123.347 0.404 . . . . 61.51 112.708 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.5 m-20 -142.55 94.05 2.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.214 0.531 . . . . 72.42 110.168 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.4 ' HG2' HH21 ' A' ' 104' ' ' ARG . 42.9 mt-10 -83.44 -18.71 37.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.226 -0.897 . . . . 62.44 112.221 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -83.1 -22.3 33.45 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.131 0.419 . . . . 61.45 112.131 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -87.2 -37.84 16.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.475 0.31 . . . . 75.34 111.763 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 100' ' ' ASP . 38.0 ptt180 -87.04 13.47 9.2 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.08 0.4 . . . . 72.2 112.08 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -82.02 -39.35 23.66 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.212 -0.449 . . . . 75.13 111.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 pt -96.41 113.88 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.416 0.447 . . . . 42.53 111.254 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.5 p -140.5 152.3 45.49 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.877 -0.601 . . . . 74.35 111.172 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -108.13 146.47 32.63 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.814 -0.63 . . . . 72.22 110.511 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.17 141.24 35.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.984 -0.553 . . . . 63.32 110.915 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -116.81 149.79 39.41 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.887 -0.597 . . . . 74.13 110.806 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.04 130.81 47.1 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.904 -0.589 . . . . 73.5 110.807 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.9 p -106.09 146.51 30.07 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.864 -0.607 . . . . 73.42 111.175 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -106.06 147.37 29.0 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.842 -0.617 . . . . 53.12 110.828 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -124.42 130.95 53.41 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 72.15 110.607 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -128.9 145.91 51.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.839 -0.619 . . . . 75.03 110.831 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -125.39 133.45 52.51 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.891 -0.595 . . . . 71.34 111.167 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -99.98 -42.67 6.67 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.919 -0.582 . . . . 72.43 111.447 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 45.3 105.55 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.827 1.251 . . . . 73.4 113.414 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -178.1 -57.07 0.07 OUTLIER Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.54 -0.755 . . . . 71.42 112.512 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -117.56 149.09 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 123.6 0.236 . . . . 71.42 111.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -128.14 129.96 47.36 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.899 -0.591 . . . . 74.34 110.904 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.42 146.29 50.84 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.833 -0.621 . . . . 75.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.119 -0.943 . . . . 75.3 110.885 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_