data_1pn5_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 1pn5 _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 ' 64' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 118.935 -0.555 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.88 -113.47 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -47.84 -22.01 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 127.629 2.372 . . . . 0.0 113.744 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.43 -51.13 37.54 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.309 1.413 . . . . 0.0 109.662 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.58 -11.24 60.57 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.87 -42.37 63.74 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 119.891 1.223 . . . . 0.0 109.547 171.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -57.7 -45.95 85.01 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.67 17.06 0.58 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.534 1.134 . . . . 0.0 112.904 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -24.06 13.76 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.86 -1.15 . . . . 0.0 110.263 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -49.59 64.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.576 0.625 . . . . 0.0 109.403 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -96.8 151.64 19.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.093 0.949 . . . . 0.0 111.884 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -126.83 -168.75 1.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 128.606 2.763 . . . . 0.0 107.108 -175.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -27.84 34.85 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 0.0 112.821 -171.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.17 -34.97 4.66 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -143.37 -9.07 0.75 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 170.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.18 -37.53 83.26 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.922 2.146 . . . . 0.0 111.747 171.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.419 ' O ' ' HE3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -62.15 -52.81 62.32 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.677 169.56 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.65 -37.6 73.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.659 1.118 . . . . 0.0 111.034 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.85 -59.12 5.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 119.055 0.843 . . . . 0.0 111.087 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -63.08 -23.64 67.54 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.753 -0.592 . . . . 0.0 112.232 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.06 -65.84 0.79 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 127.649 2.38 . . . . 0.0 109.932 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 mt -50.36 -44.35 54.64 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.114 2.166 . . . . 0.0 111.329 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 tp -40.89 -59.23 1.48 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.553 2.341 . . . . 0.0 110.923 168.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.76 -20.16 64.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.023 0.529 . . . . 0.0 112.169 -171.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -77.64 -51.33 10.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -54.09 50.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.019 1.328 . . . . 0.0 109.409 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 C-N-CA 129.694 3.198 . . . . 0.0 113.227 167.126 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.266 12.9 t -109.88 -35.13 6.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.494 -168.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.6 t -79.25 161.86 26.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 120.578 1.535 . . . . 0.0 108.583 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.46 -42.69 90.03 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 170.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.6 mtm -55.04 -39.94 69.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 122.038 0.923 . . . . 0.0 111.099 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.75 -42.0 59.04 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.426 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.49 -25.24 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.387 0.675 . . . . 0.0 109.948 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.46 -65.39 0.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.028 -1.045 . . . . 0.0 111.618 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.4 m -65.64 -16.96 64.23 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.49 -54.97 10.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.716 1.206 . . . . 0.0 109.191 169.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.19 -34.76 76.87 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.577 -0.702 . . . . 0.0 111.946 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.24 -23.33 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 121.83 -0.544 . . . . 0.0 110.907 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.25 -47.59 17.59 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.018 -1.051 . . . . 0.0 109.5 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -52.4 -46.53 66.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.816 0.846 . . . . 0.0 110.064 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.75 -77.48 0.59 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.962 0.905 . . . . 0.0 110.241 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 151.14 -172.78 30.71 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 105.208 -3.157 . . . . 0.0 105.208 -162.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.93 -42.89 85.76 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.445 2.123 . . . . 0.0 110.204 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.61 -79.6 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.637 1.175 . . . . 0.0 111.284 -168.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -70.46 -4.99 25.38 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 117.335 -1.317 . . . . 0.0 112.061 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.04 -72.75 0.14 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 120.457 1.481 . . . . 0.0 107.75 160.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -72.05 -40.6 68.23 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -165.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.16 -40.51 81.62 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.026 -1.046 . . . . 0.0 111.067 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 tt -77.28 -36.55 54.18 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.877 1.271 . . . . 0.0 109.315 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.99 78.31 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.446 -1.409 . . . . 0.0 111.566 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.11 -20.79 65.84 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.634 1.573 . . . . 0.0 112.524 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -75.91 -47.3 25.83 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.871 -0.518 . . . . 0.0 110.875 161.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.7 m -61.78 -25.76 67.67 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.486 -1.384 . . . . 0.0 111.315 -168.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -76.21 -21.3 56.61 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.268 -1.52 . . . . 0.0 112.546 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -36.57 84.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.974 1.31 . . . . 0.0 109.275 167.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.92 -59.82 3.47 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.355 0.662 . . . . 0.0 109.511 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -61.75 -47.79 83.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.129 0.877 . . . . 0.0 112.369 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.86 41.98 1.75 Allowed Glycine 0 CA--C 1.522 0.52 0 CA-C-N 118.715 0.689 . . . . 0.0 111.817 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -104.12 70.64 0.99 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 118.542 1.171 . . . . 0.0 108.268 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -60.31 -32.52 71.3 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.629 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -57.09 -42.27 80.39 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 119.099 -0.477 . . . . 0.0 110.552 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.8 -48.82 43.82 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 118.662 0.665 . . . . 0.0 109.316 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.25 -27.64 47.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.288 1.035 . . . . 0.0 112.43 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.43 -61.65 1.88 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.224 1.41 . . . . 0.0 109.407 171.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -49.31 -42.16 40.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.9 2.08 . . . . 0.0 111.913 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -20.1 52.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.398 1.879 . . . . 0.0 113.299 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 125.428 1.491 . . . . 0.0 112.259 -172.631 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 51.35 -114.1 2.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -25.39 61.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 118.259 -0.876 . . . . 0.0 112.277 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -50.81 -50.95 55.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 119.836 1.198 . . . . 0.0 111.0 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.12 -21.7 66.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.515 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.74 -35.48 77.16 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.011 1.278 . . . . 0.0 111.278 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -65.65 -44.17 87.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.333 0.97 . . . . 0.0 108.702 172.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt -72.68 -2.58 20.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.4 0.68 . . . . 0.0 112.58 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.11 -7.6 55.44 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.295 1.438 . . . . 0.0 111.673 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -69.13 0.66 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 120.074 1.307 . . . . 0.0 108.974 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.16 165.94 12.76 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 111.98 178.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -132.13 -167.72 1.93 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.803 2.041 . . . . 0.0 107.397 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -51.54 -29.28 16.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.37 1.468 . . . . 0.0 112.033 -166.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -42.46 -43.33 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.918 2.087 . . . . 0.0 112.386 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -125.8 -28.95 3.17 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.698 0.799 . . . . 0.0 110.137 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.9 tp -50.39 -34.7 25.24 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 119.44 -2.038 . . . . 0.0 113.09 170.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -52.53 63.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.098 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.25 -44.41 79.63 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 116.698 -1.62 . . . . 0.0 109.752 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.86 -61.39 2.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 121.204 1.82 . . . . 0.0 110.17 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -66.01 -26.14 67.4 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.38 -1.45 . . . . 0.0 112.023 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -57.46 3.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.045 -1.035 . . . . 0.0 110.759 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.05 -21.78 34.0 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.013 1.325 . . . . 0.0 112.085 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -68.19 0.39 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.43 78.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.933 1.293 . . . . 0.0 111.489 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -67.04 -19.0 65.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.325 1.45 . . . . 0.0 113.518 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -83.02 -54.12 5.3 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 166.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.607 0 C-N-CA 126.845 2.058 . . . . 0.0 111.0 -165.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -132.3 65.95 1.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.697 1.199 . . . . 0.0 107.928 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 65.8 m -134.12 143.57 48.05 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 166.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.66 46.09 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.001 0.81 . . . . 0.0 111.179 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.1 mtm -54.18 -35.8 62.72 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.418 1.087 . . . . 0.0 112.476 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -90.56 -40.79 11.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.986 -167.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.48 -37.25 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 167.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.72 66.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.353 0.979 . . . . 0.0 112.549 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -60.08 -29.2 68.41 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.066 -0.396 . . . . 0.0 111.178 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.34 -43.1 58.05 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.4 1.48 . . . . 0.0 110.239 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.94 -42.41 76.76 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.375 -0.828 . . . . 0.0 110.665 -172.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.82 -30.87 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.908 0.776 . . . . 0.0 110.05 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.03 -0.18 26.91 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -117.41 -40.28 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 0.0 109.646 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.22 -17.51 10.78 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.904 1.681 . . . . 0.0 114.667 -172.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.95 155.97 0.96 Allowed Glycine 0 CA--C 1.53 1.007 0 CA-C-N 119.6 1.091 . . . . 0.0 111.155 -165.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -8.51 12.18 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -170.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -68.41 -81.62 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.761 0.824 . . . . 0.0 109.111 166.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.28 -28.66 70.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.679 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.29 -16.75 48.88 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.64 1.109 . . . . 0.0 112.115 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -113.32 -46.99 3.04 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 119.568 1.076 . . . . 0.0 111.767 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.97 -32.83 68.24 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.521 1.055 . . . . 0.0 112.094 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.7 tt -81.49 -37.06 28.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.622 -1.299 . . . . 0.0 110.018 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.43 76.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.659 0.784 . . . . 0.0 110.944 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.79 -34.36 67.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.481 -0.762 . . . . 0.0 110.567 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -70.16 -57.35 5.03 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.493 1.042 . . . . 0.0 110.675 167.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.5 m -39.42 -47.6 1.82 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.623 1.969 . . . . 0.0 113.767 -163.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -92.17 -3.04 56.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -173.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -55.71 -53.72 53.16 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.714 159.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -67.09 -17.5 64.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.363 -0.827 . . . . 0.0 112.597 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.5 mtm -80.68 -8.93 59.8 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.117 1.326 . . . . 0.0 112.773 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.82 43.02 85.27 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 120.044 1.293 . . . . 0.0 112.404 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.583 0.0 OUTLIER -126.72 59.02 1.39 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.405 1.482 . . . . 0.0 111.617 170.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -57.62 -25.17 59.73 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.4 m -63.79 -22.93 67.15 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.073 1.306 . . . . 0.0 113.12 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.23 -57.29 9.9 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.111 1.365 . . . . 0.0 108.405 168.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -49.22 24.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.67 1.588 . . . . 0.0 109.941 176.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.34 25.2 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -54.66 -36.98 65.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.813 0.733 . . . . 0.0 112.228 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.64 -21.13 9.65 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.358 1.463 . . . . 0.0 113.034 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 . . . . . 0 CA--C 1.537 0.48 0 CA-C-N 119.862 1.21 . . . . 0.0 111.534 -176.685 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.29 -79.18 0.31 Allowed Glycine 0 CA--C 1.508 -0.355 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 mtm105 -41.84 -52.29 4.05 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.153 1.381 . . . . 0.0 111.686 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -44.98 77.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.82 60.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.87 0.759 . . . . 0.0 111.877 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -66.38 -58.89 4.33 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.342 1.457 . . . . 0.0 109.427 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -65.4 -37.55 87.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 120.717 -1.239 . . . . 0.0 110.733 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.48 -1.94 7.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.817 1.647 . . . . 0.0 112.367 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -101.27 -20.64 15.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 110.671 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -53.71 45.47 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 119.901 1.228 . . . . 0.0 108.166 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.4 154.29 24.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.637 1.208 . . . . 0.0 110.437 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -120.46 179.6 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.226 1.811 . . . . 0.0 106.8 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -27.73 0.64 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.574 1.55 . . . . 0.0 114.023 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -31.07 -61.32 0.19 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.996 2.118 . . . . 0.0 112.061 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -118.19 -25.79 6.53 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.988 1.715 . . . . 0.0 110.669 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.1 -31.96 71.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.245 1.418 . . . . 0.0 111.028 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -68.0 0.35 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 115.534 -2.174 . . . . 0.0 110.107 172.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 85' ' ' LEU . 14.4 mt-10 -28.83 -61.95 0.12 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 125.815 1.947 . . . . 0.0 109.01 166.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -50.99 -66.8 0.32 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.381 1.446 . . . . 0.0 113.914 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -31.68 72.58 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.97 -1.706 . . . . 0.0 112.551 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.48 -62.01 1.59 Allowed 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.332 2.253 . . . . 0.0 109.628 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -58.72 -31.25 68.1 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 128.805 2.842 . . . . 0.0 111.55 177.723 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.01 -56.31 13.84 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.584 1.154 . . . . 0.0 109.021 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.65 81.36 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.661 0.384 . . . . 0.0 110.495 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -55.87 -58.79 6.4 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.91 0.884 . . . . 0.0 110.508 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.83 64.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.758 -172.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 172.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.26 5.7 t 60.61 -11.51 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 128.17 2.588 . . . . 0.0 116.131 173.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 m -134.8 145.46 48.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.717 1.144 . . . . 0.0 109.253 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.64 70.06 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 119.58 -0.566 . . . . 0.0 111.982 -169.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.3 ptp -68.06 -20.89 65.01 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -54.1 5.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.48 -33.44 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.352 1.061 . . . . 0.0 109.235 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.81 -56.6 17.66 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.252 1.021 . . . . 0.0 112.684 173.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -35.53 74.8 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.286 0.366 . . . . 0.0 110.44 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -35.37 78.87 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.969 0.508 . . . . 0.0 109.652 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tp -68.62 -45.11 72.78 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 120.587 -1.321 . . . . 0.0 110.228 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.4 t -67.97 -23.25 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.945 0.898 . . . . 0.0 110.52 174.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.73 -30.28 40.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.556 -1.34 . . . . 0.0 111.405 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -78.61 -48.18 15.65 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.524 -1.36 . . . . 0.0 110.558 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -128.1 -36.66 1.94 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 117.23 -1.367 . . . . 0.0 113.672 -172.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.55 -121.76 5.21 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 119.468 1.031 . . . . 0.0 111.515 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -118.87 -23.61 6.89 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.639 -1.506 . . . . 0.0 112.045 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -73.74 -90.96 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.283 1.033 . . . . 0.0 108.365 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -59.9 -26.18 65.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.032 -1.042 . . . . 0.0 113.306 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.76 -18.99 58.14 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.493 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -118.32 -51.96 2.4 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -45.92 -34.8 4.13 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.147 1.779 . . . . 0.0 114.503 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.03 -39.02 11.88 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 119.926 -1.734 . . . . 0.0 109.867 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.44 66.25 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.006 1.722 . . . . 0.0 111.541 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -48.19 80.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.713 1.205 . . . . 0.0 110.275 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 0.6 OUTLIER -55.55 -34.56 64.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.103 0.961 . . . . 0.0 111.444 172.255 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.1 m -67.59 -27.99 67.38 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.452 -1.405 . . . . 0.0 110.25 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -68.95 -27.6 65.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.334 -0.854 . . . . 0.0 111.017 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.83 -35.81 75.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.317 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -58.77 -43.8 90.48 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.504 1.047 . . . . 0.0 110.226 170.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 50.4 mtp -74.66 -11.19 60.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.67 13.15 63.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.291 0.95 . . . . 0.0 114.539 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.663 0.0 OUTLIER -118.5 63.41 0.77 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.886 1.843 . . . . 0.0 114.796 -179.047 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -55.66 -19.55 11.04 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 120.073 -1.642 . . . . 0.0 113.71 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.64 -46.84 5.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 120.387 1.449 . . . . 0.0 113.566 165.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.4 mt -72.05 -41.13 67.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 39.3 t -57.88 -42.17 84.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.306 1.442 . . . . 0.0 110.861 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.19 -70.28 0.22 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.16 2.184 . . . . 0.0 109.373 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.73 -35.54 61.3 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.63 1.104 . . . . 0.0 111.719 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.93 68.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 117.383 -1.294 . . . . 0.0 113.756 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 120.769 1.622 . . . . 0.0 111.194 178.833 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.35 -107.71 0.73 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.312 1.434 . . . . 0.0 111.695 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -29.53 3.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.327 1.851 . . . . 0.0 113.232 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -37.73 -48.15 1.05 Allowed 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 126.458 1.903 . . . . 0.0 112.367 173.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.04 -25.62 65.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 118.341 -0.838 . . . . 0.0 112.208 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.14 -38.09 66.39 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.539 1.063 . . . . 0.0 111.007 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -61.64 -15.45 39.82 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.252 1.021 . . . . 0.0 110.836 171.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 mt -118.96 13.27 13.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.782 2.033 . . . . 0.0 110.734 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -114.5 -26.74 7.8 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.001 1.72 . . . . 0.0 109.375 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -31.1 65.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.871 0.468 . . . . 0.0 110.634 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.71 159.71 21.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.421 1.888 . . . . 0.0 109.659 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -124.46 -171.49 2.35 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.504 1.922 . . . . 0.0 107.216 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -11.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 126.451 1.9 . . . . 0.0 115.902 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -37.39 -55.87 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 125.658 1.583 . . . . 0.0 112.218 156.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -144.31 -18.33 0.56 Allowed 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 124.731 1.212 . . . . 0.0 110.936 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 tp -55.57 -34.83 65.13 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 119.471 -2.018 . . . . 0.0 111.29 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -62.64 1.7 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.451 1.9 . . . . 0.0 110.907 164.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.0 -34.44 42.72 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.624 1.102 . . . . 0.0 110.285 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -58.47 -60.05 4.41 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.35 0.977 . . . . 0.0 110.931 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -64.23 -14.49 55.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.001 0.819 . . . . 0.0 112.908 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -61.74 1.66 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.816 1.246 . . . . 0.0 108.939 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.87 -21.01 62.83 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.944 1.298 . . . . 0.0 110.186 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.22 -61.38 2.61 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.23 1.412 . . . . 0.0 108.991 173.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.41 -21.3 66.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -72.64 -25.66 61.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.306 1.042 . . . . 0.0 112.268 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -86.26 -41.49 14.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.241 166.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.865 0.841 . . . . 0.0 112.797 -172.402 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.269 14.0 t -140.07 73.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -140.36 136.78 33.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.52 -54.76 30.68 Favored Glycine 0 CA--C 1.524 0.598 0 O-C-N 123.691 0.62 . . . . 0.0 111.913 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -17.19 64.55 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.037 1.335 . . . . 0.0 113.614 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -87.64 -60.34 2.0 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.4 t -54.41 -27.53 17.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.861 0.864 . . . . 0.0 109.269 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.76 -57.3 11.41 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.927 1.291 . . . . 0.0 114.224 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.9 t -55.17 -38.29 68.11 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.223 0.609 . . . . 0.0 109.793 174.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.32 -47.25 57.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.625 1.17 . . . . 0.0 109.721 -171.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.71 -48.92 79.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 119.186 0.903 . . . . 0.0 110.445 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -38.19 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.836 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.19 71.69 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.867 0.758 . . . . 0.0 110.941 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -68.26 -60.68 2.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.496 1.118 . . . . 0.0 111.607 -172.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -93.92 -19.24 21.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.247 -166.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.42 168.51 44.29 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -161.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.05 -29.04 67.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -160.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.14 -71.06 0.19 Allowed 'General case' 0 C--N 1.343 0.323 0 CA-C-N 120.201 1.364 . . . . 0.0 110.524 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -59.04 -25.42 63.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.111 1.364 . . . . 0.0 110.375 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.57 -13.02 18.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -50.46 2.15 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 124.139 0.975 . . . . 0.0 110.216 161.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -55.85 -21.69 21.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 129.651 3.18 . . . . 0.0 115.546 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -48.23 4.75 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.059 1.344 . . . . 0.0 108.252 169.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.5 -46.59 13.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.249 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -42.77 83.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 125.331 1.452 . . . . 0.0 111.547 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.09 -44.59 97.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.7 m -58.71 -22.36 57.23 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.79 -0.569 . . . . 0.0 111.965 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -72.86 -29.71 63.41 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.809 -1.182 . . . . 0.0 112.376 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -30.57 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.739 0.7 . . . . 0.0 110.293 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -83.6 -29.71 27.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.579 1.552 . . . . 0.0 112.177 175.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.91 -33.36 75.43 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.949 1.25 . . . . 0.0 112.11 170.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 114.12 -1.81 24.05 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 117.796 -1.558 . . . . 0.0 114.136 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.9 86.15 2.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 119.363 1.581 . . . . 0.0 109.001 -154.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -46.95 87.77 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 t -59.52 -37.14 77.57 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.547 0.739 . . . . 0.0 110.769 -173.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.0 -51.11 65.81 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.63 0.772 . . . . 0.0 109.454 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.81 -45.92 91.76 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.067 0.547 . . . . 0.0 110.721 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.74 64.25 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.572 1.149 . . . . 0.0 109.221 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -63.06 -11.07 16.98 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.693 -1.255 . . . . 0.0 112.741 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -96.74 -5.59 38.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.524 -1.36 . . . . 0.0 113.379 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 CA--C 1.535 0.39 0 C-N-CA 126.223 1.809 . . . . 0.0 109.946 -175.851 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.2 -107.4 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.5 mmt-85 -61.86 -8.95 5.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.612 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -42.07 -55.7 3.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.567 1.147 . . . . 0.0 109.968 166.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.87 0.45 7.24 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 8.3 t -93.31 -46.55 7.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.169 1.388 . . . . 0.0 109.33 167.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -61.32 -46.51 89.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.784 0.834 . . . . 0.0 109.738 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.11 6.77 2.51 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.719 1.208 . . . . 0.0 112.026 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.46 17.09 6.49 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.528 2.731 . . . . 0.0 108.681 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.437 ' CE2' HD22 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -79.81 -60.31 2.4 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 151.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 122.094 0.949 . . . . 0.0 112.362 -169.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -131.63 -161.25 1.11 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.646 1.578 . . . . 0.0 109.729 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -59.3 -21.17 59.28 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.867 1.212 . . . . 0.0 111.901 -172.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -45.62 -58.36 3.48 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.508 1.123 . . . . 0.0 109.531 167.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -124.53 -31.7 3.21 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.28 0.632 . . . . 0.0 110.274 -156.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -57.46 -42.01 81.71 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -47.42 60.11 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 116.823 -1.56 . . . . 0.0 109.171 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.86 -54.38 29.79 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.852 1.206 . . . . 0.0 109.379 170.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.02 -12.11 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -44.5 14.46 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.577 1.08 . . . . 0.0 108.29 169.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.59 -54.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.168 1.787 . . . . 0.0 110.262 -170.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.15 -22.62 63.09 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.267 1.027 . . . . 0.0 110.489 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -59.38 3.76 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.636 1.575 . . . . 0.0 107.784 173.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.3 72.84 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.0 0.364 . . . . 0.0 110.401 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.56 -42.28 99.44 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.303 1.041 . . . . 0.0 109.783 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HA ' ' HE3' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -62.59 -76.53 0.06 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.673 1.189 . . . . 0.0 108.777 173.087 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 127.805 2.442 . . . . 0.0 113.229 -166.541 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.286 0.089 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -139.02 -21.09 0.96 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.11 161.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m -124.92 150.11 46.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.94 1.245 . . . . 0.0 111.032 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.35 -21.2 68.27 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.941 1.257 . . . . 0.0 113.679 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.1 ptp -62.33 -30.47 71.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.611 0.705 . . . . 0.0 112.719 168.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -22.1 14.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.579 0.627 . . . . 0.0 110.968 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.92 -35.5 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 O-C-N 120.974 -1.079 . . . . 0.0 110.118 168.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.99 77.4 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.48 80.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.206 0.603 . . . . 0.0 111.128 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -44.38 87.36 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.586 0.754 . . . . 0.0 109.169 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.71 -38.65 80.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.751 -1.218 . . . . 0.0 112.046 -173.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.72 -28.33 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 118.527 0.603 . . . . 0.0 109.668 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.89 -48.3 59.22 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.731 1.15 . . . . 0.0 110.657 169.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -59.89 -42.88 94.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 112.579 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -138.23 -8.06 1.54 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.44 161.04 10.96 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-N 120.763 1.62 . . . . 0.0 110.83 -164.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.63 -23.25 64.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.509 1.524 . . . . 0.0 114.477 -166.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -57.9 -75.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.582 1.153 . . . . 0.0 109.842 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -28.27 67.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.48 -173.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.93 47.93 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.531 -0.747 . . . . 0.0 112.585 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -115.94 -42.53 3.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.195 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.08 -42.75 39.89 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.188 -1.57 . . . . 0.0 112.318 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -36.88 46.7 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.49 0.662 . . . . 0.0 110.896 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.26 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.544 1.938 . . . . 0.0 111.798 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.11 -43.94 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 126.074 1.75 . . . . 0.0 109.915 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -61.91 -41.37 97.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.219 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.1 m -57.35 -22.58 43.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 111.183 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -75.88 -14.34 60.27 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.356 -1.465 . . . . 0.0 112.897 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.27 -22.8 61.16 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.722 1.147 . . . . 0.0 111.437 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.92 -58.27 6.59 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 167.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 26.2 mtp -81.03 -17.58 49.75 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -162.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.23 13.0 29.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 120.01 1.277 . . . . 0.0 114.696 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.76 64.48 1.77 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 120.966 -1.314 . . . . 0.0 110.94 -168.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -59.26 -48.27 82.26 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 m -63.92 -15.46 59.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.437 HD22 ' CE2' ' A' ' 73' ' ' PHE . 3.9 mm? -77.9 -50.13 12.82 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.881 1.218 . . . . 0.0 109.372 169.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.9 -32.17 70.51 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.768 0.827 . . . . 0.0 111.392 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.51 -72.13 0.14 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 108.471 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -45.68 -45.07 13.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.935 1.294 . . . . 0.0 113.357 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.37 -22.38 4.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.397 1.479 . . . . 0.0 114.074 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 128.039 2.536 . . . . 0.0 110.454 -168.049 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 -90.9 0.3 Allowed Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 163.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.31 -10.85 26.75 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.153 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tp -50.36 -49.38 54.36 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.191 1.359 . . . . 0.0 110.045 163.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.0 66.51 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.99 -39.58 92.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.227 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -72.64 0.47 10.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.835 1.254 . . . . 0.0 113.306 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.46 16.09 14.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.061 0.846 . . . . 0.0 111.689 -171.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.08 -18.46 10.05 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.831 0.852 . . . . 0.0 112.23 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -45.25 73.92 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 170.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.97 156.31 26.01 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.041 1.401 . . . . 0.0 110.523 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -126.33 -177.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 126.208 1.803 . . . . 0.0 107.63 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.9 -16.24 16.63 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.974 -165.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.91 -61.1 2.23 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 119.594 1.088 . . . . 0.0 109.655 165.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.39 -31.69 10.81 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.662 0.785 . . . . 0.0 110.501 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.0 -40.94 81.99 Favored 'General case' 0 C--N 1.338 0.085 0 O-C-N 120.82 -1.175 . . . . 0.0 109.23 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -69.76 -51.25 35.69 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.32 -46.07 69.3 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 118.95 0.796 . . . . 0.0 110.932 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -53.95 -56.05 21.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 119.587 1.085 . . . . 0.0 111.503 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -63.07 -33.71 76.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.395 0.678 . . . . 0.0 112.177 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.66 -61.24 1.86 Allowed 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.114 -1.616 . . . . 0.0 108.682 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.5 mt -57.17 -49.01 77.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.003 2.121 . . . . 0.0 109.913 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tt -59.74 -50.87 72.16 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.048 1.295 . . . . 0.0 109.907 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.95 69.7 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.387 -0.821 . . . . 0.0 111.799 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -66.5 -47.6 72.46 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.452 1.024 . . . . 0.0 109.866 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -50.57 -57.55 7.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.954 2.102 . . . . 0.0 110.171 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.51 1.124 . . . . 0.0 112.584 -178.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 pttt . . . . . 0 CA--C 1.516 -0.334 0 CA-C-O 121.214 0.53 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.411 0.0 OUTLIER 65.6 -26.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 129.973 3.309 . . . . 0.0 114.152 176.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.41 137.42 32.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 169.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.27 -56.94 14.78 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 124.66 1.124 . . . . 0.0 112.536 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 ptp -60.49 -30.82 69.95 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -29.27 64.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.145 0.884 . . . . 0.0 110.882 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.03 -24.96 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 121.546 -0.721 . . . . 0.0 109.793 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.37 -48.84 71.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.786 1.175 . . . . 0.0 110.112 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.4 m -55.77 -31.18 62.36 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.602 0.761 . . . . 0.0 111.742 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -46.63 13.7 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.297 0.953 . . . . 0.0 111.745 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.3 mt -68.44 -44.02 75.8 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.703 1.138 . . . . 0.0 111.398 -171.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.66 -28.33 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 118.701 0.682 . . . . 0.0 109.756 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.76 -12.6 59.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -90.31 -46.21 8.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.523 1.056 . . . . 0.0 110.407 167.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -120.28 -16.73 8.41 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -156.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.52 172.72 3.04 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-O 123.286 1.492 . . . . 0.0 111.063 -164.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -12.91 1.21 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.616 2.366 . . . . 0.0 114.362 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -75.21 -87.99 0.03 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 120.345 1.43 . . . . 0.0 110.136 167.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -67.44 -15.9 63.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.408 -169.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.64 -11.07 14.72 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 121.068 1.758 . . . . 0.0 112.554 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -51.83 2.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 123.359 0.664 . . . . 0.0 110.636 164.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -35.81 62.82 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -169.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.98 -48.89 11.64 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.18 59.37 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.962 1.305 . . . . 0.0 112.347 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.86 -49.18 20.62 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.75 2.02 . . . . 0.0 111.917 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.444 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 0.7 OUTLIER -57.18 -36.0 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.913 -0.492 . . . . 0.0 110.857 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.7 m -68.26 -21.46 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.22 -0.925 . . . . 0.0 110.411 -168.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -67.12 -35.54 79.99 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.752 -0.593 . . . . 0.0 111.242 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.87 -43.86 97.67 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -48.07 83.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.388 1.475 . . . . 0.0 111.595 177.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 9.3 mtm -76.05 -10.28 59.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.099 0.863 . . . . 0.0 112.995 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.41 88.84 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.345 -1.253 . . . . 0.0 114.72 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.01 83.2 5.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.866 1.833 . . . . 0.0 109.682 -170.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -63.33 -48.28 78.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.553 -174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -32.39 72.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.449 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.15 -48.56 79.54 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.683 1.583 . . . . 0.0 110.416 173.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -34.49 75.6 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.571 0.349 . . . . 0.0 110.719 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.29 50.81 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.522 1.129 . . . . 0.0 108.916 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -59.93 -25.48 65.2 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.079 1.352 . . . . 0.0 111.928 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.65 60.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.483 1.113 . . . . 0.0 113.551 172.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 CA--C 1.539 0.556 0 CA-C-N 120.591 1.542 . . . . 0.0 112.302 -169.07 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.61 -107.39 2.19 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 171.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.71 -18.5 65.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 117.058 -1.448 . . . . 0.0 112.16 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.45 -44.11 62.28 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 110.626 -169.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.6 -38.37 45.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.576 1.55 . . . . 0.0 113.292 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.61 -43.78 93.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.735 1.214 . . . . 0.0 110.939 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -66.02 -26.31 67.47 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.196 -0.94 . . . . 0.0 110.668 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.7 mt -93.66 8.93 38.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.677 1.991 . . . . 0.0 111.687 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -112.12 -19.69 12.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.137 1.375 . . . . 0.0 111.786 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -53.87 39.64 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -82.37 151.62 26.58 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.539 1.135 . . . . 0.0 109.817 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -119.63 -176.91 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 125.803 1.641 . . . . 0.0 108.376 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -37.05 0.66 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.595 1.558 . . . . 0.0 114.676 -174.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -25.22 -63.63 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.276 2.63 . . . . 0.0 112.149 164.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -120.22 -17.79 8.19 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.568 1.076 . . . . 0.0 111.504 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.83 -20.71 62.21 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.688 -1.258 . . . . 0.0 111.48 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -55.62 5.76 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 117.039 -1.457 . . . . 0.0 111.564 164.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -52.94 -48.04 67.62 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.144 0.884 . . . . 0.0 109.463 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' CE2' ' HB ' ' A' ' 131' ' ' THR . 52.7 t80 -51.37 -60.54 3.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.134 0.425 . . . . 0.0 112.146 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.49 -26.15 65.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.853 0.751 . . . . 0.0 112.372 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -54.96 4.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.728 1.211 . . . . 0.0 110.047 -177.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.99 -28.56 62.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.37 0.668 . . . . 0.0 109.326 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.35 -53.35 19.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.78 95.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.772 0.429 . . . . 0.0 110.626 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.09 -37.11 83.81 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.864 0.302 . . . . 0.0 110.589 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 130' ' ' HIS . 15.3 tppt? -68.92 -46.0 69.42 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.952 1.301 . . . . 0.0 109.894 175.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 123.704 0.802 . . . . 0.0 113.113 -176.032 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -145.29 17.98 1.54 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -175.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.7 m -116.74 139.35 50.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.068 -1.645 . . . . 0.0 110.899 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -44.71 -54.24 6.77 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 126.829 2.157 . . . . 0.0 113.942 -166.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.4 ptm -65.16 -27.69 68.89 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.684 0.742 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.9 -28.4 22.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.437 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.7 t -68.05 -36.53 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 120.342 1.428 . . . . 0.0 107.203 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.91 40.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 112.719 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -61.79 -24.89 67.14 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.394 -0.816 . . . . 0.0 112.335 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -77.81 -37.47 48.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.852 1.261 . . . . 0.0 110.662 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.12 -39.94 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 119.942 -1.724 . . . . 0.0 111.049 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.27 -26.37 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 121.891 -0.505 . . . . 0.0 110.221 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.94 68.82 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.303 -0.873 . . . . 0.0 110.309 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.1 -46.56 90.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.634 0.774 . . . . 0.0 110.764 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -123.45 -64.0 1.19 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.06 173.15 14.31 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 -160.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -50.59 15.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.325 1.85 . . . . 0.0 111.436 -167.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.25 -72.24 0.08 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.483 1.113 . . . . 0.0 111.344 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -71.53 -22.43 61.77 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.122 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.71 -17.5 63.07 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.106 1.321 . . . . 0.0 111.025 172.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -111.76 -50.6 2.91 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 119.428 1.013 . . . . 0.0 112.669 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -50.68 -47.68 58.77 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.752 1.615 . . . . 0.0 111.903 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 tt -70.7 -33.91 71.38 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.53 -46.19 76.97 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 118.696 -0.669 . . . . 0.0 111.015 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -48.27 70.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 124.614 1.166 . . . . 0.0 110.334 175.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.416 ' NE2' ' HE3' ' A' ' 89' ' ' LYS . 36.0 t60 -53.32 -51.73 61.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.846 0.748 . . . . 0.0 110.543 171.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.405 ' HB ' ' CE2' ' A' ' 82' ' ' PHE . 28.8 m -65.28 -26.46 68.09 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.537 -0.727 . . . . 0.0 110.932 -169.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -66.65 -33.63 76.08 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.098 -1.001 . . . . 0.0 111.246 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -19.06 65.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 124.353 1.061 . . . . 0.0 111.32 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.22 -17.69 51.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.692 1.197 . . . . 0.0 111.597 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 31.9 mtp -111.66 -11.08 14.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.396 1.079 . . . . 0.0 112.163 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.85 28.04 57.5 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.653 -1.082 . . . . 0.0 113.208 176.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.07 81.68 5.59 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.255 2.027 . . . . 0.0 109.898 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -54.44 -45.27 73.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 117.531 -1.223 . . . . 0.0 112.587 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.6 p -62.53 -27.89 69.47 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.965 1.257 . . . . 0.0 111.79 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 37.5 mt -68.56 -55.35 11.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.732 0.696 . . . . 0.0 109.348 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.74 -44.74 81.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.172 0.442 . . . . 0.0 111.606 176.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.5 -61.0 2.74 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.1 1.36 . . . . 0.0 109.32 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -56.07 -38.19 70.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 120.091 1.314 . . . . 0.0 111.155 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.98 5.93 0.59 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.527 1.131 . . . . 0.0 114.026 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 . . . . . 0 N--CA 1.469 0.509 0 C-N-CA 126.477 1.911 . . . . 0.0 112.243 176.08 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.78 -94.92 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -59.98 -22.15 62.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.716 0.807 . . . . 0.0 112.162 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -43.74 -49.63 7.9 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 125.496 1.518 . . . . 0.0 110.361 172.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.81 -28.97 67.91 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 117.357 -1.306 . . . . 0.0 111.485 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.3 t -58.88 -57.06 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 121.364 1.893 . . . . 0.0 109.989 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -60.92 -15.79 34.97 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.25 1.02 . . . . 0.0 111.983 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.94 1.57 22.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.503 2.321 . . . . 0.0 111.613 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -107.6 -17.56 14.07 Favored 'General case' 0 C--O 1.23 0.079 0 C-N-CA 126.058 1.743 . . . . 0.0 110.391 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -32.44 69.29 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.474 1.034 . . . . 0.0 111.567 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.74 160.39 14.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.588 1.555 . . . . 0.0 111.244 -175.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -124.14 -170.6 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -30.63 39.67 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.864 -166.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -27.2 -54.39 0.08 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.941 2.496 . . . . 0.0 111.499 167.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -123.46 -31.17 3.55 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.267 1.427 . . . . 0.0 109.853 -175.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.91 -36.54 77.21 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 119.67 -1.894 . . . . 0.0 112.376 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -64.01 -47.17 81.33 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.011 175.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.71 -48.38 81.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.601 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -47.23 -60.61 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.411 1.084 . . . . 0.0 110.659 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.76 -20.57 65.24 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -51.73 4.95 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.362 1.065 . . . . 0.0 111.071 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.45 -27.62 62.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.215 1.406 . . . . 0.0 109.376 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.22 -55.08 15.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.264 1.426 . . . . 0.0 109.943 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.01 64.25 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.016 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -79.61 -42.66 24.46 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.336 1.054 . . . . 0.0 110.685 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -48.67 67.59 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 125.185 1.394 . . . . 0.0 110.194 175.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 123.654 0.781 . . . . 0.0 109.058 167.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.514 -0.408 0 CA-C-O 120.643 0.258 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.284 0.7 OUTLIER -144.3 -53.34 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 160.636 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -129.88 154.92 46.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.84 0.712 . . . . 0.0 109.297 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.52 88.29 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.563 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.4 ptp -60.42 -36.44 78.18 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.908 1.354 . . . . 0.0 112.33 175.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.85 -39.25 18.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.328 1.051 . . . . 0.0 109.949 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -28.15 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 167.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.52 67.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.95 0.795 . . . . 0.0 111.801 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -42.34 69.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.849 0.86 . . . . 0.0 110.832 174.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -38.25 87.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -89.41 -35.21 16.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.802 -0.618 . . . . 0.0 112.404 -170.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.81 -26.36 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.187 0.903 . . . . 0.0 109.214 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.56 74.01 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.285 0.948 . . . . 0.0 111.471 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -60.66 -48.26 82.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.671 0.788 . . . . 0.0 111.442 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -113.36 -73.28 0.67 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.988 0.915 . . . . 0.0 110.777 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.89 7.85 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 106.559 -2.617 . . . . 0.0 106.559 -160.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -16.02 59.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.689 1.744 . . . . 0.0 113.952 -165.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -54.99 -83.84 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.566 1.546 . . . . 0.0 109.066 166.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -22.55 60.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 121.458 -0.777 . . . . 0.0 111.872 -173.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -18.44 65.32 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.518 1.054 . . . . 0.0 111.152 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -106.19 -59.09 1.83 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 116.978 -1.486 . . . . 0.0 110.288 171.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -44.53 -45.3 9.25 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.098 1.772 . . . . 0.0 113.81 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.15 -35.68 59.1 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.047 1.403 . . . . 0.0 109.466 -173.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.18 -26.47 56.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.722 2.009 . . . . 0.0 112.214 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.44 -62.37 1.91 Allowed 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -46.5 -41.94 14.87 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 124.208 0.943 . . . . 0.0 111.069 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.5 m -56.65 -14.38 3.2 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.714 1.206 . . . . 0.0 113.457 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.401 ' CD1' ' C ' ' A' ' 132' ' ' TRP . 0.5 OUTLIER -52.25 -35.0 48.65 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.806 1.185 . . . . 0.0 111.297 170.216 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -31.87 73.15 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 126.013 1.725 . . . . 0.0 110.095 -170.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -78.95 -32.9 45.65 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.382 1.073 . . . . 0.0 111.544 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 83.4 mtp -85.88 -32.78 21.48 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.759 -1.213 . . . . 0.0 112.902 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.63 -21.67 36.07 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.86 1.695 . . . . 0.0 113.523 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.575 0.0 OUTLIER -79.13 63.75 3.86 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.188 1.494 . . . . 0.0 114.534 -178.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.14 -58.44 7.65 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.528 -1.225 . . . . 0.0 112.017 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -41.33 62.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.61 1.164 . . . . 0.0 111.159 -170.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.24 -61.84 0.95 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 128.284 2.634 . . . . 0.0 111.801 174.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 95.2 m -91.23 -39.06 12.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 112.375 -2.193 . . . . 0.0 107.397 -163.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.77 -55.29 6.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.008 0.923 . . . . 0.0 108.802 167.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -54.83 -19.85 7.4 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.22 -12.83 61.1 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.581 -1.324 . . . . 0.0 113.447 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 127.101 2.161 . . . . 0.0 111.482 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.87 -94.13 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 174.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -47.56 -30.21 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 127.104 2.162 . . . . 0.0 114.596 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.76 -28.48 56.2 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.838 0.855 . . . . 0.0 111.57 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.97 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.568 -0.73 . . . . 0.0 111.001 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 91.7 m -60.6 -38.05 83.4 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.687 0.676 . . . . 0.0 110.569 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.16 -48.07 77.43 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -78.74 15.49 1.04 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.955 1.302 . . . . 0.0 113.399 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.32 -15.78 9.7 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.877 1.271 . . . . 0.0 110.914 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CE1' HD22 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -60.4 -50.25 74.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.986 -1.071 . . . . 0.0 108.803 174.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.96 166.06 20.18 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 127.988 2.515 . . . . 0.0 109.945 170.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -132.54 -163.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 126.309 1.843 . . . . 0.0 106.17 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -62.56 -2.34 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.59 -48.05 39.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.488 1.04 . . . . 0.0 110.567 157.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.68 -16.32 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.766 1.166 . . . . 0.0 112.155 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.6 tp -49.17 -43.51 42.07 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.665 1.575 . . . . 0.0 110.734 169.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -61.8 -54.57 40.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.998 1.319 . . . . 0.0 108.66 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.41 -48.81 71.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.918 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.75 -48.39 81.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.28 0.945 . . . . 0.0 110.386 -177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.9 -37.51 79.6 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.023 -1.048 . . . . 0.0 111.348 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -83.68 -47.06 11.61 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.857 0.863 . . . . 0.0 112.508 -172.129 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.56 -26.54 68.63 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 116.636 -1.65 . . . . 0.0 108.116 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.3 tt -72.67 -50.78 22.71 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.21 1.368 . . . . 0.0 108.051 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.33 64.02 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.564 0.62 . . . . 0.0 110.958 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -71.43 -46.75 59.3 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.53 -0.731 . . . . 0.0 111.133 172.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -52.31 20.91 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.386 1.474 . . . . 0.0 110.308 176.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 128.949 2.9 . . . . 0.0 111.472 -175.093 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.7 mptt . . . . . 0 N--CA 1.462 0.155 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 t -147.26 29.08 0.97 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.007 0.432 . . . . 0.0 111.858 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -116.82 139.26 50.8 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 161.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.63 -46.1 38.29 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 119.082 0.856 . . . . 0.0 111.926 172.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.21 -38.35 79.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.04 0.92 . . . . 0.0 112.965 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -87.34 -27.1 23.03 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.388 -0.82 . . . . 0.0 110.938 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.06 -45.19 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 163.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.47 -47.72 81.12 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.976 1.262 . . . . 0.0 112.062 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -36.12 71.33 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.071 0.548 . . . . 0.0 112.04 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.58 73.1 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 123.821 0.849 . . . . 0.0 108.796 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 tp -72.01 -39.31 69.3 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.918 -169.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.11 -43.24 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.167 0.894 . . . . 0.0 109.692 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.83 81.71 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.298 0.953 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -67.15 -60.23 2.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.323 1.449 . . . . 0.0 111.245 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -112.47 -13.57 13.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -159.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.02 157.12 4.79 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.615 1.102 . . . . 0.0 110.929 -169.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -15.01 16.02 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.573 1.949 . . . . 0.0 115.094 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -65.49 -83.47 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.293 1.037 . . . . 0.0 108.405 165.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -65.69 -22.88 66.66 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.412 -0.805 . . . . 0.0 111.648 -172.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.75 -5.82 6.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.221 0.919 . . . . 0.0 113.249 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.66 -47.93 2.3 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.074 0.852 . . . . 0.0 109.904 154.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -34.81 40.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -171.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.35 -39.29 12.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.938 1.695 . . . . 0.0 109.881 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -40.79 63.23 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.705 -0.622 . . . . 0.0 111.411 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -47.29 85.8 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.975 174.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 15.3 t60 -51.7 -43.78 62.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.888 1.676 . . . . 0.0 110.603 174.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.7 m -62.62 -22.2 66.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.87 0.868 . . . . 0.0 111.704 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.472 ' CD2' ' HB2' ' A' ' 141' ' ' CYS . 0.0 OUTLIER -58.19 -45.12 88.13 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 176.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.79 72.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.204 1.002 . . . . 0.0 109.78 -166.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.01 -48.26 80.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.732 2.013 . . . . 0.0 110.734 174.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 9.7 mtm -83.18 -31.09 27.3 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.428 1.013 . . . . 0.0 112.443 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.83 18.09 52.18 Favored Glycine 0 CA--C 1.532 1.149 0 O-C-N 121.39 -0.819 . . . . 0.0 114.587 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.87 81.44 6.13 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.202 1.501 . . . . 0.0 109.772 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -45.62 -49.53 14.15 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.411 1.084 . . . . 0.0 112.147 -174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.3 m -59.55 -25.05 64.22 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.5 HD22 ' CE1' ' A' ' 73' ' ' PHE . 3.0 mm? -72.38 -47.27 50.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 119.927 1.239 . . . . 0.0 109.226 -176.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 132' ' ' TRP . 22.5 t -69.25 -41.23 77.2 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.074 0.549 . . . . 0.0 111.168 175.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.08 -61.87 2.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.694 0.797 . . . . 0.0 109.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -60.29 -23.56 64.26 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 119.864 1.211 . . . . 0.0 112.663 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.32 -10.07 57.92 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.711 1.596 . . . . 0.0 112.088 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 125.116 1.366 . . . . 0.0 110.986 -167.115 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.44 -0.954 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.0 -103.14 0.25 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -75.77 -12.68 60.23 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.832 1.253 . . . . 0.0 113.715 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.6 tp -45.45 -48.7 13.82 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.074 1.75 . . . . 0.0 111.106 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.45 54.23 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.538 1.063 . . . . 0.0 113.269 -177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -38.3 73.79 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.413 1.006 . . . . 0.0 110.032 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -68.36 -8.74 42.73 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.059 0.944 . . . . 0.0 111.869 171.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.9 mt -120.85 9.39 10.66 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 119.924 1.238 . . . . 0.0 112.067 -173.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -7.87 10.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.503 1.047 . . . . 0.0 113.104 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CE2' ' HG ' ' A' ' 74' ' ' LEU . 17.4 p90 -61.08 -24.07 65.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.949 0.5 . . . . 0.0 111.48 171.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' HG ' ' CE2' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -113.26 167.99 10.1 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 128.958 2.903 . . . . 0.0 109.796 176.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -130.32 179.5 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.346 1.858 . . . . 0.0 107.238 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -38.47 0.99 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.269 1.428 . . . . 0.0 114.37 -169.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -25.73 -68.79 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.068 2.547 . . . . 0.0 112.311 164.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -106.85 -26.62 11.16 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.899 1.68 . . . . 0.0 109.017 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.9 -37.82 83.54 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.606 1.548 . . . . 0.0 112.181 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.48 -34.63 25.32 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.559 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.25 -46.48 72.63 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.958 1.253 . . . . 0.0 109.166 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -69.1 -15.56 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 119.934 -1.729 . . . . 0.0 114.149 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -84.86 -48.58 9.2 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.961 1.71 . . . . 0.0 109.353 162.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -43.69 81.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.439 -0.788 . . . . 0.0 111.462 -166.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.82 -21.37 62.47 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.577 1.551 . . . . 0.0 109.552 176.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.07 31.36 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 171.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.78 -16.45 63.81 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.281 0.632 . . . . 0.0 112.395 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -75.4 -46.65 31.58 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.252 1.021 . . . . 0.0 109.914 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -66.18 -36.57 83.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.138 -0.976 . . . . 0.0 109.809 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.503 0 C-N-CA 124.338 1.055 . . . . 0.0 109.594 -178.494 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.1 t -138.54 -2.82 1.74 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.452 1.501 . . . . 0.0 111.559 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.13 151.57 45.57 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 120.387 -1.446 . . . . 0.0 111.859 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.65 -42.46 97.27 Favored Glycine 0 C--O 1.226 -0.382 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 ptp -58.29 -21.16 47.92 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.35 -27.47 9.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.037 1.335 . . . . 0.0 110.879 -172.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.51 -39.14 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 162.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.05 -57.97 9.55 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.242 1.017 . . . . 0.0 112.279 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.8 p -64.54 -20.81 66.45 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -46.19 42.61 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.871 1.268 . . . . 0.0 109.221 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.38 -43.25 81.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.347 -0.846 . . . . 0.0 110.855 -171.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.6 t -66.35 -12.49 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.825 0.85 . . . . 0.0 110.815 174.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -103.45 -2.4 26.95 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.246 1.418 . . . . 0.0 112.503 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -107.63 -34.04 7.12 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.201 1.4 . . . . 0.0 110.337 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -123.83 -26.22 4.14 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.02 177.14 7.22 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-O 123.011 1.34 . . . . 0.0 110.124 -153.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.91 -19.82 65.38 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -161.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -61.08 -78.5 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.223 1.374 . . . . 0.0 110.125 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -65.68 -28.51 69.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.932 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.13 -13.76 40.63 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.453 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -113.83 -50.22 2.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 120.1 1.318 . . . . 0.0 110.997 164.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -48.04 -46.29 33.1 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.787 1.63 . . . . 0.0 112.324 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tt -76.3 -36.3 58.41 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.64 -1.287 . . . . 0.0 108.719 -177.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.21 99.38 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.261 -0.899 . . . . 0.0 110.433 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.9 -51.74 67.91 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.553 1.541 . . . . 0.0 108.696 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -54.94 -41.91 71.63 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.317 0.962 . . . . 0.0 112.003 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.2 m -62.84 -22.5 66.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.593 1.088 . . . . 0.0 111.06 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.4 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.65 -0.656 . . . . 0.0 110.429 173.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.7 -30.29 67.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.124 0.57 . . . . 0.0 110.323 -167.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -69.24 -63.01 1.15 Allowed 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 127.234 2.214 . . . . 0.0 110.192 167.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.2 mtm -67.52 -23.16 65.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.41 8.19 64.48 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 120.027 1.285 . . . . 0.0 115.288 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.7 82.42 4.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.952 1.876 . . . . 0.0 111.329 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -41.9 96.05 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 120.939 -1.1 . . . . 0.0 111.896 -172.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -47.24 15.36 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.961 1.304 . . . . 0.0 110.616 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.43 -55.88 11.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.585 1.154 . . . . 0.0 109.796 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 10.3 t -60.51 -38.34 84.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.71 -67.73 0.33 Allowed 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 124.2 0.938 . . . . 0.0 108.616 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -59.02 -31.37 68.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.048 0.939 . . . . 0.0 112.282 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.84 -8.22 10.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.059 2.143 . . . . 0.0 114.226 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 125.361 1.464 . . . . 0.0 107.971 -174.477 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.7 p-90 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.04 -90.78 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -51.74 -34.07 37.55 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.544 1.172 . . . . 0.0 113.379 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.6 pp -52.13 -28.48 18.07 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.61 -15.64 61.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.508 1.049 . . . . 0.0 112.537 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.9 m -76.4 -40.13 51.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.307 0.958 . . . . 0.0 111.054 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -56.93 -35.28 68.87 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 mp -80.66 13.18 2.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.989 2.116 . . . . 0.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -138.14 -4.17 1.73 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.064 2.146 . . . . 0.0 110.399 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -45.94 85.73 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.371 -1.456 . . . . 0.0 108.182 164.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.16 164.38 12.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.328 2.251 . . . . 0.0 109.462 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -125.72 -170.99 2.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.23 1.812 . . . . 0.0 107.278 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -60.29 -12.05 8.02 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -38.15 -72.91 0.05 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.978 1.711 . . . . 0.0 110.532 156.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -112.82 -17.98 12.39 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.969 1.258 . . . . 0.0 109.914 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.0 tp -55.88 -44.02 77.74 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 120.42 1.464 . . . . 0.0 110.937 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -47.87 68.8 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.515 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.39 -55.03 20.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 120.644 1.566 . . . . 0.0 110.003 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CD2' ' CZ3' ' A' ' 132' ' ' TRP . 31.0 t80 -45.5 -58.3 3.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.433 0.693 . . . . 0.0 110.682 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.25 -26.67 62.1 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.111 -0.993 . . . . 0.0 111.761 -172.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.74 -59.32 4.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.493 1.517 . . . . 0.0 108.445 173.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.64 -43.15 84.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.261 1.824 . . . . 0.0 110.681 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -43.62 88.69 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.152 0.887 . . . . 0.0 110.024 178.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.44 67.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 120.951 -1.093 . . . . 0.0 110.818 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -53.94 -52.23 61.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.373 1.469 . . . . 0.0 108.949 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -56.31 -47.67 78.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.033 1.733 . . . . 0.0 110.823 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -175.353 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.337 0 CA-C-O 124.171 1.938 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.49 7.41 0.58 Allowed 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.484 -163.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.2 m -130.76 161.94 30.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 163.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.17 -44.77 96.63 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 168.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 ptp -62.3 -23.58 66.81 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.532 1.933 . . . . 0.0 113.011 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -77.34 -51.74 10.35 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.424 1.011 . . . . 0.0 109.605 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.41 -35.68 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.99 -62.02 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.505 1.122 . . . . 0.0 113.413 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -30.69 68.86 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.019 0.437 . . . . 0.0 111.352 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -36.33 68.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.078 0.466 . . . . 0.0 110.534 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.6 mt -70.04 -43.21 71.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.186 -0.946 . . . . 0.0 110.105 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 21.3 t -60.98 -43.47 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.34 83.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.731 1.15 . . . . 0.0 111.887 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -72.07 -43.58 64.65 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.061 0.945 . . . . 0.0 113.027 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -126.95 -44.23 1.64 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.149 -0.929 . . . . 0.0 113.327 -169.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 126.45 -117.47 2.82 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.385 1.469 . . . . 0.0 113.811 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -120.38 -20.98 7.04 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.71 -2.053 . . . . 0.0 113.566 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -79.36 -89.6 0.05 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 170.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -65.08 -8.0 14.62 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.06 70.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 116.874 -1.536 . . . . 0.0 111.188 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 67' ' ' LEU . 38.3 t-105 -103.23 -45.58 4.86 Favored 'General case' 0 C--O 1.207 -1.179 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -176.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.94 -37.46 69.01 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 119.652 -1.905 . . . . 0.0 113.246 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 tt -76.61 -36.97 57.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.48 -61.9 1.91 Allowed 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 125.255 1.422 . . . . 0.0 109.19 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -24.95 45.49 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.018 1.327 . . . . 0.0 111.581 -160.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -50.93 -38.53 50.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.555 0.742 . . . . 0.0 110.41 163.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.7 m -61.26 -20.87 63.35 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.321 -1.487 . . . . 0.0 112.004 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.436 ' CZ3' ' CD2' ' A' ' 82' ' ' PHE . 7.4 m95 -66.77 -33.29 75.29 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.137 -0.977 . . . . 0.0 111.289 174.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -44.44 96.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.979 0.912 . . . . 0.0 108.719 172.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.76 -42.54 60.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 116.347 -1.787 . . . . 0.0 114.174 -177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.3 mtm -60.48 -61.44 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 121.442 1.928 . . . . 0.0 109.484 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 149.27 5.77 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.127 -0.818 . . . . 0.0 114.082 -174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.611 0.0 OUTLIER -124.69 56.78 1.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.773 2.029 . . . . 0.0 115.498 -170.199 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -11.42 4.67 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.9 t -47.19 -46.51 23.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.398 1.453 . . . . 0.0 109.855 164.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.417 HD11 ' CE3' ' A' ' 132' ' ' TRP . 54.8 mt -66.87 -41.19 87.71 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.278 1.031 . . . . 0.0 110.158 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 13.6 t -58.08 -49.51 76.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.228 1.011 . . . . 0.0 110.144 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.63 -55.74 27.39 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.137 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.68 -12.2 32.18 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.951 1.251 . . . . 0.0 113.264 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.32 -2.04 56.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.331 1.423 . . . . 0.0 113.049 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 CA--C 1.534 0.353 0 C-N-CA 125.439 1.496 . . . . 0.0 110.485 -178.657 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.1 m0 . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.13 -77.67 2.05 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 158.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -53.88 -31.66 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.375 1.088 . . . . 0.0 111.404 171.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.72 -62.42 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.298 1.039 . . . . 0.0 108.6 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.15 -20.85 65.77 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.147 -1.406 . . . . 0.0 113.748 -170.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.22 -42.74 52.15 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 121.089 1.768 . . . . 0.0 111.513 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -72.26 -32.59 66.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.95 0.9 . . . . 0.0 109.981 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.62 -6.53 54.5 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.539 1.136 . . . . 0.0 111.575 -173.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -90.6 -28.36 18.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 110.424 -173.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.67 55.46 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -174.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.96 165.0 23.05 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.506 1.522 . . . . 0.0 110.333 -177.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -134.06 -170.86 2.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.84 1.256 . . . . 0.0 108.627 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -6.15 10.4 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.908 -1.12 . . . . 0.0 114.02 -165.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.82 -76.33 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.026 0.93 . . . . 0.0 109.307 154.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -102.95 -24.88 13.63 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 121.124 -0.985 . . . . 0.0 110.763 -161.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -38.02 74.4 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 110.054 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -37.87 20.41 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 116.371 -1.776 . . . . 0.0 110.534 -175.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.76 -57.38 11.74 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -46.47 -57.13 4.98 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.148 0.886 . . . . 0.0 111.641 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -39.92 69.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.551 1.069 . . . . 0.0 112.461 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -54.19 6.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.19 0.996 . . . . 0.0 110.057 -174.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.7 -16.24 37.46 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.944 1.298 . . . . 0.0 111.816 175.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 tt -80.64 -55.59 4.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 119.789 1.177 . . . . 0.0 108.39 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.38 -23.87 64.66 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.809 0.444 . . . . 0.0 111.511 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -52.53 -48.11 66.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.33 1.452 . . . . 0.0 110.489 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.345 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.428 1.491 . . . . 0.0 112.224 -149.607 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 C--O 1.239 0.55 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.5 t -135.66 2.25 2.9 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.668 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.7 m -99.99 153.57 19.09 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.471 1.032 . . . . 0.0 110.45 164.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.85 -28.5 70.29 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.449 -0.782 . . . . 0.0 113.014 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -36.19 82.98 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.826 -0.808 . . . . 0.0 110.293 175.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -82.85 -45.91 13.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.058 0.943 . . . . 0.0 110.89 -172.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 24.2 m -60.27 -28.88 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 123.752 0.821 . . . . 0.0 111.385 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.85 -48.59 30.91 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.362 0.665 . . . . 0.0 111.554 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.2 p -62.08 -33.34 74.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.665 0.666 . . . . 0.0 112.176 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -42.11 70.88 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.324 1.05 . . . . 0.0 109.072 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.0 -52.61 16.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.795 1.638 . . . . 0.0 111.108 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.96 -28.06 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 119.419 1.009 . . . . 0.0 109.865 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.47 64.96 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 120.766 -1.209 . . . . 0.0 112.05 171.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -61.59 -39.77 92.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.868 0.867 . . . . 0.0 110.175 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -127.72 -80.35 0.59 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.61 0.764 . . . . 0.0 110.473 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.12 11.53 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -158.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -55.15 -23.46 21.4 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.61 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.286 1.434 . . . . 0.0 110.0 168.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -27.53 62.33 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 120.668 -1.27 . . . . 0.0 112.831 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.84 13.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.772 0.715 . . . . 0.0 111.783 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -118.19 -51.31 2.43 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 119.395 0.998 . . . . 0.0 111.411 169.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -45.86 -45.0 14.81 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.609 1.564 . . . . 0.0 114.066 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -41.04 16.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.469 1.128 . . . . 0.0 108.38 -172.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.83 -41.42 64.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.121 1.368 . . . . 0.0 112.549 168.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.09 -52.91 63.4 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 125.69 1.596 . . . . 0.0 109.983 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.305 0.642 . . . . 0.0 110.468 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.9 m -65.24 -13.58 58.68 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.072 -1.017 . . . . 0.0 111.756 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -72.1 -28.83 63.54 Favored 'General case' 0 C--O 1.225 -0.198 0 O-C-N 120.7 -1.25 . . . . 0.0 111.754 172.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -58.92 -45.18 90.97 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.292 1.437 . . . . 0.0 110.029 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -49.48 -56.95 7.99 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.717 1.607 . . . . 0.0 110.531 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 36.4 mtp -81.01 -13.79 58.52 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.059 0.544 . . . . 0.0 112.324 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.01 69.1 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.149 -1.362 . . . . 0.0 113.102 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.44 77.33 6.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.155 1.977 . . . . 0.0 109.469 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -55.53 -46.83 77.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.588 1.155 . . . . 0.0 109.628 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.4 m -57.87 -40.61 80.62 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 118.188 -0.91 . . . . 0.0 113.182 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.67 -41.69 68.38 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.384 1.447 . . . . 0.0 109.401 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -44.22 97.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 110.488 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.23 -66.31 0.56 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.4 1.88 . . . . 0.0 110.459 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -49.65 -39.67 37.01 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 126.729 2.012 . . . . 0.0 111.407 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.64 42.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.22 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 127.382 2.273 . . . . 0.0 112.047 -167.046 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.2 -94.93 0.15 Allowed Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.186 -2.366 . . . . 0.0 107.186 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -57.01 -25.08 57.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.83 -42.74 47.98 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.077 1.351 . . . . 0.0 110.681 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.18 67.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.473 0.709 . . . . 0.0 112.243 -173.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -66.49 -36.81 83.65 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.15 0.98 . . . . 0.0 111.36 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -66.34 -21.38 66.25 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.926 -1.109 . . . . 0.0 110.696 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.8 mt -107.89 32.28 4.86 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.367 1.867 . . . . 0.0 109.193 -175.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.35 -26.82 1.83 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.229 1.411 . . . . 0.0 110.433 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -50.97 58.38 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.424 0.557 . . . . 0.0 109.798 -175.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 161.59 30.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.927 0.891 . . . . 0.0 108.645 169.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -123.25 -176.61 3.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.15 -41.71 0.27 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.419 1.887 . . . . 0.0 114.483 -175.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -41.67 -55.82 2.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 128.719 2.807 . . . . 0.0 110.415 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -113.14 -22.45 10.51 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 123.605 0.762 . . . . 0.0 109.661 -172.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.3 tp -54.75 -39.14 68.01 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 121.134 -0.979 . . . . 0.0 111.115 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -39.57 54.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.034 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 85' ' ' LEU . 34.1 mt-10 -62.07 0.85 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.434 1.094 . . . . 0.0 112.589 164.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -103.77 -74.62 0.64 Allowed 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 121.362 -0.836 . . . . 0.0 110.408 157.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.95 -35.76 47.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.953 1.701 . . . . 0.0 113.178 -169.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.32 -48.44 7.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.75 0.704 . . . . 0.0 109.509 -175.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.519 ' CD1' ' HA ' ' A' ' 81' ' ' GLU . 8.9 mp -56.96 -22.5 38.57 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.785 2.034 . . . . 0.0 111.204 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -44.85 83.94 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.95 67.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.346 -0.846 . . . . 0.0 110.97 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -63.69 -44.35 93.93 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -72.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 169.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 125.795 1.638 . . . . 0.0 110.88 -167.541 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.724 0.773 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -139.66 0.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.811 2.044 . . . . 0.0 111.999 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -111.85 133.92 53.75 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.421 0.629 . . . . 0.0 109.433 -174.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.81 85.46 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 123.897 0.761 . . . . 0.0 112.78 -167.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -43.16 74.86 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 117.864 0.832 . . . . 0.0 111.4 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.7 -27.23 27.17 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 121.407 -0.808 . . . . 0.0 112.3 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.03 -41.29 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 165.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.32 90.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.137 0.881 . . . . 0.0 112.111 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 p -58.59 -35.77 72.95 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.96 0.8 . . . . 0.0 112.048 174.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -42.36 82.29 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.4 tp -69.79 -43.11 72.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 120.894 -1.129 . . . . 0.0 111.982 -171.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.7 -27.13 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 118.2 0.455 . . . . 0.0 110.149 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.0 -35.02 66.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.282 0.947 . . . . 0.0 111.539 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -69.73 -59.7 2.78 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.234 1.014 . . . . 0.0 109.454 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -108.57 -26.52 10.36 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -162.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.36 166.17 25.88 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -156.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -49.45 -53.14 24.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.697 1.199 . . . . 0.0 112.369 -167.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -50.4 -77.53 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.971 1.308 . . . . 0.0 111.133 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.42 -12.18 61.44 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 116.982 -1.485 . . . . 0.0 112.013 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.84 -65.12 0.73 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.744 1.611 . . . . 0.0 107.322 167.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -76.13 -44.44 38.38 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.582 -0.699 . . . . 0.0 112.138 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -29.19 69.28 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.16 -1.587 . . . . 0.0 113.394 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 tt -81.98 -42.84 18.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.453 1.501 . . . . 0.0 109.36 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.13 69.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.911 1.284 . . . . 0.0 110.505 172.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.4 -56.19 10.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 120.236 1.38 . . . . 0.0 111.658 174.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -54.12 -42.95 70.03 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.462 0.705 . . . . 0.0 110.13 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.8 m -57.71 -31.16 66.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.413 0.685 . . . . 0.0 110.868 -172.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -74.68 -28.59 60.89 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.369 -0.832 . . . . 0.0 113.191 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -64.91 -40.97 95.9 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.04 0.836 . . . . 0.0 109.161 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -55.8 -44.92 78.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.082 1.753 . . . . 0.0 110.711 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.0 mtp -74.98 -15.45 60.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.84 6.47 69.79 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.887 1.232 . . . . 0.0 114.209 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.48 124.99 28.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 120.216 2.008 . . . . 0.0 108.318 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -107.05 -24.69 11.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 42.8 t -57.67 -35.19 70.23 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.216 0.916 . . . . 0.0 110.252 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.41 -61.3 1.88 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.282 1.033 . . . . 0.0 110.677 -165.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.38 -37.57 72.86 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.041 0.837 . . . . 0.0 111.482 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.86 -72.78 0.07 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.87 -11.3 58.36 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.413 -1.429 . . . . 0.0 113.258 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.82 -45.57 50.49 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 120.914 -1.116 . . . . 0.0 111.793 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.344 0.347 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -162.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.9 p-90 . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.02 -79.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -174.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -54.85 -51.26 66.46 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.023 0.911 . . . . 0.0 111.956 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.454 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.8 pp -50.58 -33.14 20.85 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.882 1.673 . . . . 0.0 113.054 175.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.78 -22.06 63.37 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.369 0.986 . . . . 0.0 111.766 -172.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -64.69 -49.84 69.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.411 1.005 . . . . 0.0 110.027 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -54.67 -33.78 61.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.005 0.522 . . . . 0.0 109.788 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.4 0.45 46.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.72 1.608 . . . . 0.0 113.872 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 -5.67 11.07 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 120.57 1.532 . . . . 0.0 112.153 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -56.16 25.7 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 166.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.11 161.86 27.09 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 110.045 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -125.0 177.22 6.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.87 1.668 . . . . 0.0 108.069 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.07 -10.84 15.96 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -164.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -44.58 -63.7 0.84 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.048 1.294 . . . . 0.0 110.122 157.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.69 -31.26 8.98 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -167.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.08 -39.62 66.47 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.139 -0.976 . . . . 0.0 110.233 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.443 ' HE3' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -61.74 -57.12 13.14 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.657 1.183 . . . . 0.0 111.351 172.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -53.38 -42.93 67.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.861 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -55.57 -51.44 67.09 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 119.386 0.994 . . . . 0.0 112.193 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.2 -46.4 88.52 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.099 0.863 . . . . 0.0 110.168 176.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.443 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 5.9 tt -64.0 -54.59 31.92 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 125.65 1.58 . . . . 0.0 110.513 -170.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.57 -48.06 82.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.301 2.24 . . . . 0.0 109.56 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.61 -48.7 80.63 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 125.086 1.354 . . . . 0.0 109.53 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.2 -13.5 60.38 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.051 0.941 . . . . 0.0 113.171 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.45 -45.74 11.56 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 119.365 0.984 . . . . 0.0 109.962 167.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -60.09 3.79 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.083 1.753 . . . . 0.0 110.616 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.776 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.158 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.488 ' HE3' ' CD1' ' A' ' 114' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.369 0 CA-C-O 122.245 1.022 . . . . 0.0 109.479 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 t -82.61 5.47 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 125.793 1.637 . . . . 0.0 112.287 -174.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.5 m -123.76 141.24 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 121.426 -0.797 . . . . 0.0 110.567 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.8 91.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 123.759 0.695 . . . . 0.0 113.575 -167.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -14.91 35.87 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.283 1.033 . . . . 0.0 112.769 171.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -108.2 -12.31 15.11 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.831 1.252 . . . . 0.0 111.912 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.63 -24.09 18.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 120.663 -1.273 . . . . 0.0 108.465 155.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.31 -53.04 21.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.166 -0.959 . . . . 0.0 111.97 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.92 -41.52 46.27 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.576 1.55 . . . . 0.0 111.066 170.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.488 ' CD1' ' HE3' ' A' ' 105' ' ' LYS . 1.5 t80 -68.49 -45.21 72.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.974 0.909 . . . . 0.0 110.775 -176.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.29 -39.15 93.34 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.598 -0.689 . . . . 0.0 110.702 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.44 -42.85 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.84 -49.4 72.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.043 0.838 . . . . 0.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -72.87 -32.33 65.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.766 -169.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -129.06 -45.02 1.27 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.552 0.615 . . . . 0.0 112.178 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.25 160.02 13.93 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -172.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -13.71 62.57 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -165.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.52 -81.57 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.392 1.477 . . . . 0.0 110.462 159.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -62.48 -26.83 68.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.712 1.142 . . . . 0.0 111.977 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.9 -13.14 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 118.182 -0.913 . . . . 0.0 112.232 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.454 ' CZ3' ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -119.11 -53.58 2.25 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.45 0.7 . . . . 0.0 110.338 160.286 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -50.72 -35.29 30.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.371 1.869 . . . . 0.0 114.823 -175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -51.37 7.05 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.66 47.01 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.233 1.013 . . . . 0.0 113.081 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.91 -49.84 65.14 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.106 1.363 . . . . 0.0 110.468 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.97 -32.05 63.53 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.841 0.746 . . . . 0.0 111.441 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 m -60.95 -9.2 3.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.526 1.057 . . . . 0.0 111.719 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -55.64 -42.61 75.26 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.047 -1.033 . . . . 0.0 110.439 165.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.44 -32.67 74.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.349 1.06 . . . . 0.0 109.756 -171.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.24 -62.97 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.852 1.261 . . . . 0.0 109.304 171.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.7 mtm -75.46 -12.53 60.26 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -171.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.78 1.59 82.56 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.102 1.81 . . . . 0.0 114.928 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.15 86.29 4.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.465 2.133 . . . . 0.0 110.78 -168.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -53.75 48.31 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.06 0.944 . . . . 0.0 111.134 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -25.43 68.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.258 0.623 . . . . 0.0 111.926 -168.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.39 -59.92 2.68 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -175.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 35.2 t -57.41 -39.35 75.98 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.436 0.695 . . . . 0.0 111.094 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.1 -65.29 0.72 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.705 0.802 . . . . 0.0 110.137 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.79 -18.74 65.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.0 0.92 . . . . 0.0 112.341 -173.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.38 -14.2 62.78 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.888 . . . . 0.0 112.659 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 CA--C 1.534 0.33 0 C-N-CA 124.566 1.146 . . . . 0.0 112.551 -168.517 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.4 m95 . . . . . 0 N--CA 1.438 -1.063 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.97 -91.08 0.59 Allowed Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 107.023 -2.431 . . . . 0.0 107.023 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -27.43 7.27 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.368 1.067 . . . . 0.0 113.347 172.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.9 1.2 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.79 -24.99 67.73 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.081 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -10.3 3.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.837 1.655 . . . . 0.0 114.641 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -114.36 -41.07 3.52 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.841 2.057 . . . . 0.0 108.279 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.98 4.28 1.61 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.808 2.443 . . . . 0.0 112.498 177.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -16.79 14.43 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.989 1.716 . . . . 0.0 111.765 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -47.5 79.07 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 120.076 1.307 . . . . 0.0 108.236 174.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.25 160.44 14.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.806 1.242 . . . . 0.0 112.026 -176.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -135.5 -161.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.796 1.639 . . . . 0.0 107.507 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -54.58 -16.39 2.38 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -169.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -51.97 -58.36 6.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.415 1.007 . . . . 0.0 109.957 169.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.65 -21.08 4.53 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.108 0.867 . . . . 0.0 111.034 -169.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.95 -34.4 77.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 119.794 -1.816 . . . . 0.0 110.901 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -44.86 87.73 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.425 170.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.19 -34.74 78.77 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.869 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' CD2' ' CH2' ' A' ' 132' ' ' TRP . 0.3 OUTLIER -50.63 -60.89 2.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.691 2.042 . . . . 0.0 110.045 171.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -66.21 -25.69 67.04 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.99 -63.96 1.24 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.59 1.556 . . . . 0.0 109.112 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.61 -43.9 69.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 127.306 2.242 . . . . 0.0 110.602 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.53 -48.74 79.67 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.73 70.01 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.921 0.782 . . . . 0.0 111.185 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.68 -34.55 67.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.627 0.771 . . . . 0.0 111.94 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -68.0 -75.72 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.888 1.275 . . . . 0.0 108.306 164.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 C-N-CA 125.555 1.542 . . . . 0.0 110.664 -172.335 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mptt . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.1 t -152.62 15.68 0.59 Allowed 'General case' 0 C--O 1.239 0.536 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -161.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -119.93 160.07 23.44 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.572 0.623 . . . . 0.0 112.447 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -30.26 -61.86 0.19 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 128.05 2.738 . . . . 0.0 112.975 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -14.11 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.477 1.511 . . . . 0.0 113.45 -173.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.06 -47.89 7.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.245 0.618 . . . . 0.0 110.511 -172.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.2 t -53.37 -39.35 35.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.65 -62.01 1.94 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.146 0.979 . . . . 0.0 112.229 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -63.03 -24.25 67.83 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.29 0.496 . . . . 0.0 111.945 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.49 -48.18 65.12 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 172.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.9 tp -65.13 -43.75 90.91 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.226 1.01 . . . . 0.0 112.46 -173.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.58 -29.37 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 118.886 0.766 . . . . 0.0 110.076 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.7 59.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.722 1.147 . . . . 0.0 111.932 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -65.86 -50.92 62.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.628 0.649 . . . . 0.0 110.238 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -117.25 -22.69 8.18 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -163.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.2 174.3 45.43 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -152.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.46 -34.91 69.49 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 123.924 0.89 . . . . 0.0 112.684 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -60.29 -84.39 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.499 1.52 . . . . 0.0 109.218 -175.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -65.01 -21.83 66.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.251 0.932 . . . . 0.0 111.684 -172.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.79 -18.83 57.49 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.82 1.191 . . . . 0.0 112.317 174.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -119.9 -49.91 2.3 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 119.501 1.046 . . . . 0.0 109.592 174.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -59.53 -22.66 61.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.738 1.215 . . . . 0.0 113.766 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.75 -41.26 9.34 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.926 1.239 . . . . 0.0 109.481 171.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.92 -45.4 10.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.463 0.705 . . . . 0.0 112.638 170.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.27 -33.35 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.767 1.627 . . . . 0.0 110.795 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -59.62 -49.31 78.25 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 164.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -26.33 54.57 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.195 -1.565 . . . . 0.0 112.678 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.405 ' CH2' ' CD2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -76.06 -24.18 55.11 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.917 1.287 . . . . 0.0 111.681 178.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.88 67.67 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.222 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -73.43 -65.32 0.83 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.64 169.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 6.3 mtm -56.88 -24.88 54.99 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 119.664 1.12 . . . . 0.0 113.313 -165.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.21 67.99 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 119.176 0.898 . . . . 0.0 112.781 172.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -79.11 72.08 5.63 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -61.65 -37.62 84.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.578 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -47.98 53.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.295 1.438 . . . . 0.0 110.508 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.17 -52.48 54.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 124.166 0.986 . . . . 0.0 110.143 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.01 -43.17 99.48 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.519 0.328 . . . . 0.0 111.102 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.52 -61.88 2.11 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.643 1.577 . . . . 0.0 108.119 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -50.09 -32.11 14.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.479 1.112 . . . . 0.0 113.119 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -80.81 -8.08 59.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.666 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 CA--C 1.545 0.784 0 CA-C-N 121.271 1.85 . . . . 0.0 112.855 -168.035 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.73 -100.05 0.03 OUTLIER Glycine 0 C--N 1.336 0.567 0 C-N-CA 126.435 1.969 . . . . 0.0 110.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.84 -41.39 1.13 Allowed 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.592 1.957 . . . . 0.0 112.922 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.7 mt -50.62 -41.89 55.46 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 118.705 0.684 . . . . 0.0 110.798 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.24 65.2 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.782 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.27 -50.07 61.88 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.062 1.301 . . . . 0.0 109.554 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -55.84 -43.46 77.03 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.9 9.52 5.24 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.118 0.967 . . . . 0.0 113.069 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 -5.33 7.72 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.756 1.617 . . . . 0.0 113.272 175.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -40.78 77.96 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 170.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.02 166.0 12.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.94 2.096 . . . . 0.0 110.51 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -127.52 -171.67 2.49 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.765 1.626 . . . . 0.0 108.635 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -47.48 -23.4 0.62 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.809 2.044 . . . . 0.0 113.047 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -38.05 -64.03 0.44 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 128.998 2.919 . . . . 0.0 110.341 164.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -124.41 -22.26 4.72 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.441 1.496 . . . . 0.0 110.854 -170.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.6 tp -57.57 -43.46 84.57 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.866 1.266 . . . . 0.0 110.699 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -63.61 -54.44 35.81 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.025 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -42.18 83.21 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.641 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -49.65 -61.89 1.86 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 120.325 1.42 . . . . 0.0 110.604 173.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -66.53 -28.16 68.32 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.905 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.23 -58.8 3.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.496 2.318 . . . . 0.0 110.206 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.0 -41.79 88.52 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.515 1.526 . . . . 0.0 110.067 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tt -59.94 -57.11 14.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.607 1.163 . . . . 0.0 108.514 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.74 -35.68 71.03 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 111.697 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -61.74 -57.32 12.36 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.586 0.755 . . . . 0.0 109.835 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -58.68 6.98 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.88 -173.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 131.549 3.939 . . . . 0.0 119.601 173.462 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 t -145.0 6.25 1.16 Allowed 'General case' 0 C--O 1.238 0.494 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -164.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.27 156.98 31.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.262 1.025 . . . . 0.0 109.606 173.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.01 69.0 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 124.296 0.95 . . . . 0.0 112.25 -175.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.11 -21.28 66.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.35 1.075 . . . . 0.0 111.881 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.89 -58.43 3.31 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 119.427 1.012 . . . . 0.0 109.425 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.7 m -58.15 -26.69 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.139 0.976 . . . . 0.0 111.96 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.32 -58.92 3.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.456 1.102 . . . . 0.0 113.037 171.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -27.44 68.26 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.345 -0.847 . . . . 0.0 111.915 176.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -49.12 67.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.92 0.782 . . . . 0.0 108.978 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.372 1.069 . . . . 0.0 109.667 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.88 -41.79 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 O-C-N 121.878 -0.514 . . . . 0.0 109.674 173.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -30.69 71.13 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.781 0.832 . . . . 0.0 112.144 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.53 -68.73 0.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.44 -7.51 12.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -149.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.94 177.38 35.98 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -152.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -54.75 -26.94 37.46 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.482 0.713 . . . . 0.0 112.897 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -55.4 -80.46 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.306 1.042 . . . . 0.0 111.546 -170.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.438 ' HA ' ' HB3' ' A' ' 126' ' ' ASP . 0.8 OUTLIER -68.43 -20.81 64.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.186 -179.108 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.35 -14.31 17.86 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.83 -46.63 2.34 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.27 0.941 . . . . 0.0 112.215 164.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.438 ' HB3' ' HA ' ' A' ' 123' ' ' ARG . 16.9 t70 -50.4 -43.03 54.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.742 1.617 . . . . 0.0 114.055 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -40.94 21.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.072 0.939 . . . . 0.0 108.726 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.37 -36.14 41.9 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.01 0.924 . . . . 0.0 112.662 168.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.69 -39.77 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 120.348 1.431 . . . . 0.0 111.448 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -43.47 98.75 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.5 m -61.55 -37.02 82.26 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.848 0.859 . . . . 0.0 109.34 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.465 ' CB ' ' HG ' ' A' ' 141' ' ' CYS . 6.9 m95 -63.6 -36.85 85.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.725 177.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -75.2 -38.5 60.71 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.776 0.716 . . . . 0.0 109.981 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.31 -46.27 69.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.662 1.185 . . . . 0.0 111.379 173.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 66.4 mtp -77.04 -16.34 59.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.61 25.18 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 118.941 0.792 . . . . 0.0 112.491 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.51 81.93 1.66 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.855 1.327 . . . . 0.0 110.186 173.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -61.77 -44.05 97.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 O-C-N 121.324 -0.86 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.4 p -63.2 0.78 0.57 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.647 1.579 . . . . 0.0 114.286 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.71 -53.25 2.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.173 1.389 . . . . 0.0 107.819 171.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.465 ' HG ' ' CB ' ' A' ' 132' ' ' TRP . 1.2 m -53.07 -47.29 68.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.44 1.096 . . . . 0.0 113.393 176.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.83 -67.02 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -55.81 -19.48 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.026 1.331 . . . . 0.0 114.163 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.43 63.11 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 116.438 -1.744 . . . . 0.0 112.026 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.478 ' N ' HE21 ' A' ' 145' ' ' GLN 0.27 0.1 OUTLIER . . . . . 0 C--N 1.347 0.47 0 CA-C-N 120.4 1.455 . . . . 0.0 111.695 175.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.4 m95 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 -91.68 1.66 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 164.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.31 -44.78 62.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.314 1.446 . . . . 0.0 110.617 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 tp -47.37 -52.7 15.85 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.133 1.373 . . . . 0.0 111.523 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.91 -14.86 58.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.076 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.8 m -63.02 -40.87 99.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 121.681 2.037 . . . . 0.0 110.027 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -61.87 -24.23 66.79 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 123.128 0.571 . . . . 0.0 111.885 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 -8.48 31.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.252 1.021 . . . . 0.0 110.551 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.94 -32.35 57.27 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.484 0.713 . . . . 0.0 110.095 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -9.94 59.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.447 0.699 . . . . 0.0 112.708 -171.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.04 171.95 7.43 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.264 1.825 . . . . 0.0 111.769 -173.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -134.94 169.83 16.81 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.471 1.108 . . . . 0.0 110.366 152.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -39.73 -47.76 2.09 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.579 1.952 . . . . 0.0 112.493 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.26 -16.48 45.82 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 112.237 -168.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -131.54 -24.01 2.28 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.658 0.783 . . . . 0.0 110.406 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.76 -40.8 84.01 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.289 1.436 . . . . 0.0 111.813 173.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -53.82 10.23 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -38.62 70.43 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.58 -1.2 . . . . 0.0 111.463 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -52.78 -61.15 2.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 120.366 1.439 . . . . 0.0 110.084 172.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -24.55 65.32 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.253 -174.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.65 -71.33 0.21 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.224 2.21 . . . . 0.0 109.421 172.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -49.68 -43.73 47.49 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.782 2.033 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -45.14 -67.32 0.29 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 126.559 1.944 . . . . 0.0 111.398 167.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.54 25.37 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -93.52 -38.86 11.18 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.893 1.277 . . . . 0.0 109.283 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.92 -61.9 1.88 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.171 1.388 . . . . 0.0 107.75 163.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 123.278 0.631 . . . . 0.0 112.25 -166.243 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.6 p -104.17 27.8 7.39 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.161 0.984 . . . . 0.0 111.232 171.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 p -118.31 141.24 48.72 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 120.631 -1.293 . . . . 0.0 108.763 165.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.57 -37.63 89.39 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.941 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.2 ptm -74.26 -26.78 60.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.998 -0.707 . . . . 0.0 112.158 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -81.47 -37.19 28.35 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.298 0.954 . . . . 0.0 111.022 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -55.27 -40.94 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 119.289 0.95 . . . . 0.0 108.821 168.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.57 -64.67 0.84 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.737 0.815 . . . . 0.0 112.246 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 p -58.25 -30.32 66.46 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.345 0.52 . . . . 0.0 111.948 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -65.64 -55.15 19.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.84 -41.11 95.98 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.621 -0.674 . . . . 0.0 110.979 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.66 -26.63 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.933 1.293 . . . . 0.0 111.183 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.27 -4.49 25.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.599 1.159 . . . . 0.0 113.583 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -94.56 -38.77 10.72 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 125.051 1.341 . . . . 0.0 110.681 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -111.17 -56.13 2.41 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.771 1.228 . . . . 0.0 110.708 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 118.49 159.09 11.04 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -166.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.19 -32.57 64.49 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 124.678 1.191 . . . . 0.0 113.834 -162.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -60.13 -74.76 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 119.082 0.855 . . . . 0.0 110.439 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -63.44 -30.2 71.36 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.785 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -6.29 8.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.595 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -120.71 -46.35 2.36 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.794 1.179 . . . . 0.0 112.122 156.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.85 -33.52 56.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.313 1.845 . . . . 0.0 114.996 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.99 -48.68 15.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.8 1.64 . . . . 0.0 107.755 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.46 -35.48 63.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.775 2.43 . . . . 0.0 112.887 176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.39 -50.75 68.91 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 124.574 1.15 . . . . 0.0 110.396 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -37.04 83.19 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.945 0.498 . . . . 0.0 110.225 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 77.0 m -64.29 -29.91 70.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.887 0.875 . . . . 0.0 110.126 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -61.71 -47.38 85.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.52 -0.738 . . . . 0.0 110.17 174.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -63.57 -32.25 73.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.114 0.966 . . . . 0.0 111.226 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -60.28 -42.11 94.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.215 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -81.81 -15.37 54.39 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.018 0.826 . . . . 0.0 111.738 171.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.93 60.92 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.67 1.605 . . . . 0.0 114.301 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.82 78.13 5.28 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 120.332 2.066 . . . . 0.0 110.45 -169.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -55.01 -49.29 71.88 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 125.127 1.371 . . . . 0.0 109.988 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.2 m -62.23 -37.72 86.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.585 0.754 . . . . 0.0 111.347 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.11 -49.53 60.53 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.0 t -53.71 -39.27 65.07 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.923 0.889 . . . . 0.0 110.343 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.9 -56.39 9.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.029 2.132 . . . . 0.0 110.935 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.59 -24.97 64.21 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.35 -0.844 . . . . 0.0 110.816 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -81.61 0.71 37.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.42 1.488 . . . . 0.0 113.762 174.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 N--CA 1.469 0.504 0 CA-C-N 120.184 1.356 . . . . 0.0 112.703 -176.249 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.8 -105.69 0.04 OUTLIER Glycine 0 CA--C 1.526 0.72 0 C-N-CA 127.012 2.244 . . . . 0.0 112.988 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -16.55 40.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 117.661 -1.161 . . . . 0.0 113.534 -172.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mp -41.01 -58.05 1.84 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.555 1.542 . . . . 0.0 109.966 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -17.36 62.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.6 -1.191 . . . . 0.0 112.346 -172.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 16.5 t -67.21 -45.03 78.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 120.245 1.384 . . . . 0.0 108.498 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -62.37 -43.49 98.7 Favored 'General case' 0 CA--C 1.523 -0.084 0 O-C-N 121.205 -0.935 . . . . 0.0 109.407 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 9.53 3.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.583 0.753 . . . . 0.0 111.987 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -107.18 -15.07 14.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.319 2.248 . . . . 0.0 110.109 166.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -60.2 2.56 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.256 1.389 . . . . 0.0 107.986 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -89.94 149.54 22.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.862 1.315 . . . . 0.0 110.148 -173.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -116.76 -171.83 2.09 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.506 1.922 . . . . 0.0 107.599 -175.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -60.55 -14.78 21.92 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 117.093 -1.432 . . . . 0.0 114.54 -160.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -49.37 -71.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.512 1.051 . . . . 0.0 109.769 163.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -106.99 -17.51 14.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -160.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.46 -42.81 99.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.207 1.003 . . . . 0.0 109.004 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -69.28 -48.11 62.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 115.809 -2.043 . . . . 0.0 110.113 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.47 -45.86 69.74 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.786 1.63 . . . . 0.0 110.082 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -54.78 -46.05 74.36 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 119.294 0.952 . . . . 0.0 111.569 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.92 -46.92 82.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.035 0.834 . . . . 0.0 111.143 175.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.06 -64.41 0.89 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.398 2.679 . . . . 0.0 109.157 -170.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.18 -48.53 67.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.989 2.116 . . . . 0.0 110.489 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.76 -56.45 19.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.747 1.219 . . . . 0.0 109.236 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.13 67.61 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.124 -0.985 . . . . 0.0 111.27 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.73 -29.28 40.57 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.376 1.07 . . . . 0.0 111.486 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.2 93.67 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 109.493 163.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.413 0 C-N-CA 125.048 1.339 . . . . 0.0 110.935 -176.354 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.6 mttp . . . . . 0 C--O 1.236 0.352 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.9 p -144.37 -1.78 0.91 Allowed 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.688 1.195 . . . . 0.0 113.348 -173.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 m -123.93 141.19 52.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 118.49 0.587 . . . . 0.0 109.789 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.76 -53.95 9.63 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 125.484 1.516 . . . . 0.0 113.015 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.9 ptp -54.26 -27.93 38.26 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.474 1.51 . . . . 0.0 114.302 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.07 -34.32 10.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.435 1.016 . . . . 0.0 110.983 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.45 -40.03 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 167.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -60.88 3.16 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.906 1.23 . . . . 0.0 111.551 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p -63.02 -24.67 68.03 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.708 -0.62 . . . . 0.0 112.061 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -74.11 -42.88 59.37 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.378 1.071 . . . . 0.0 109.56 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.38 -48.96 79.66 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.723 1.209 . . . . 0.0 110.309 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -53.96 -44.94 63.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.919 0.887 . . . . 0.0 109.744 172.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.54 -59.82 4.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.31 0.959 . . . . 0.0 110.339 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.03 -40.95 97.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 113.145 -169.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -119.78 -24.01 6.3 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 97.17 158.17 30.98 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -168.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -27.84 58.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.847 1.659 . . . . 0.0 115.009 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.34 -74.99 0.09 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.42 1.088 . . . . 0.0 110.354 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.17 -24.61 66.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.876 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.87 -18.9 25.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.078 -0.963 . . . . 0.0 112.298 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.79 -56.97 2.28 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 118.951 0.796 . . . . 0.0 110.408 162.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.33 -29.96 6.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.736 2.014 . . . . 0.0 116.396 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.82 -53.62 4.66 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 169.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.74 -26.19 22.24 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.323 1.449 . . . . 0.0 114.3 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.78 -40.28 79.45 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 127.317 2.247 . . . . 0.0 110.068 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -20.97 53.77 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.283 0.947 . . . . 0.0 112.697 -166.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 58.4 p -62.49 -25.53 68.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.286 1.434 . . . . 0.0 110.59 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -58.43 -39.21 79.18 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.95 -36.87 64.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.597 1.159 . . . . 0.0 108.699 -170.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.11 -55.15 6.02 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.274 1.03 . . . . 0.0 111.956 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 53.7 mtp -73.82 -18.0 61.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.967 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.86 6.91 69.13 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.354 1.931 . . . . 0.0 115.269 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.2 95.59 5.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.572 2.186 . . . . 0.0 111.003 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.77 -59.06 5.24 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.083 1.353 . . . . 0.0 110.9 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.0 t -67.12 -18.85 65.48 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.857 -170.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 22.4 mt -69.37 -62.35 1.41 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.494 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 19.0 t -50.5 -39.15 47.74 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 118.573 0.624 . . . . 0.0 112.095 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.01 -83.41 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.898 2.079 . . . . 0.0 109.127 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.52 -25.2 67.91 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.515 -1.366 . . . . 0.0 113.751 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.26 -24.28 18.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.053 0.941 . . . . 0.0 112.723 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 125.247 1.419 . . . . 0.0 110.982 -163.329 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.76 -101.01 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 126.31 1.91 . . . . 0.0 111.718 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -54.44 -26.03 28.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 117.845 -1.074 . . . . 0.0 113.148 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -49.73 -51.32 39.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.123 1.328 . . . . 0.0 110.587 169.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -21.81 65.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 117.754 -1.117 . . . . 0.0 111.396 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.64 -43.79 62.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.971 1.26 . . . . 0.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.49 -42.04 91.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.884 -1.135 . . . . 0.0 108.681 168.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.69 8.07 2.63 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -110.7 -8.0 14.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.547 1.939 . . . . 0.0 110.996 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -59.25 2.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 169.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.82 165.1 25.52 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.39 1.476 . . . . 0.0 111.144 -174.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.26 -169.85 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.009 1.323 . . . . 0.0 111.58 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -53.11 -11.64 0.28 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.61 -66.14 0.59 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.98 0.912 . . . . 0.0 109.585 163.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -104.21 -22.58 13.37 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.611 -0.68 . . . . 0.0 109.596 -157.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.02 -41.01 82.23 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.655 1.182 . . . . 0.0 109.333 167.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -66.36 0.53 Allowed 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 125.415 1.486 . . . . 0.0 110.079 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.61 71.33 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.92 0.782 . . . . 0.0 110.818 -172.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -55.43 -60.52 3.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.644 1.111 . . . . 0.0 111.278 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -68.46 -28.1 66.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.527 -0.733 . . . . 0.0 111.289 -171.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.39 -65.63 0.65 Allowed 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 126.871 2.068 . . . . 0.0 109.274 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.45 -41.18 89.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.266 1.026 . . . . 0.0 111.376 -176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.73 -50.85 71.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.009 0.924 . . . . 0.0 108.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.31 -29.4 70.48 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 118.976 -0.535 . . . . 0.0 111.898 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -68.48 -49.09 62.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.71 0.686 . . . . 0.0 109.961 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -60.76 2.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 128.298 2.639 . . . . 0.0 110.366 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.705 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -177.655 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 CA--C 1.523 -0.096 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -144.42 14.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.448 1.099 . . . . 0.0 111.955 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 m -136.87 148.83 47.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.07 -45.96 94.48 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 124.195 0.902 . . . . 0.0 112.378 -165.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ptp -66.17 -23.97 66.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.929 -0.748 . . . . 0.0 111.725 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -89.89 -35.95 15.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.618 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.66 -33.42 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 119.826 1.193 . . . . 0.0 109.833 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.21 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.175 -0.953 . . . . 0.0 111.233 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.8 t -52.8 -37.99 60.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.042 0.937 . . . . 0.0 111.222 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.87 75.93 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.687 1.195 . . . . 0.0 110.335 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.58 -32.27 60.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.473 -0.767 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.23 -42.41 95.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.37 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.954 0.797 . . . . 0.0 111.278 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -68.0 -55.38 12.84 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.665 174.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -133.75 -2.67 2.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 117.778 2.51 . . . . 0.0 117.778 -162.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.25 167.49 24.82 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 120.818 1.644 . . . . 0.0 112.24 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.97 42.97 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.73 2.012 . . . . 0.0 114.132 -170.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -64.52 -83.97 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 119.226 0.921 . . . . 0.0 108.558 167.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -63.29 -28.66 70.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.633 -0.667 . . . . 0.0 111.699 -169.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.89 -11.43 18.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.586 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.23 -52.5 2.17 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.828 164.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -45.7 -42.47 11.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.867 2.067 . . . . 0.0 114.092 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -46.8 13.6 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.98 -37.11 30.96 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.817 2.047 . . . . 0.0 113.047 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -45.68 84.27 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 126.18 1.792 . . . . 0.0 110.524 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -34.49 73.32 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.826 0.45 . . . . 0.0 110.737 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -68.89 -16.76 63.85 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.991 -1.068 . . . . 0.0 110.576 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -73.44 -31.3 63.74 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.259 -0.9 . . . . 0.0 111.744 167.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -43.92 81.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.723 171.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -52.9 -62.53 1.59 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.561 1.144 . . . . 0.0 110.303 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 38.5 mtp -72.16 -8.39 54.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.088 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.9 14.32 82.73 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 119.826 1.194 . . . . 0.0 113.792 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.86 69.57 5.05 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 126.455 1.902 . . . . 0.0 108.708 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -67.86 -28.17 67.32 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 117.028 -1.463 . . . . 0.0 111.826 -175.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.1 m -57.5 -47.15 82.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.267 1.394 . . . . 0.0 109.895 171.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.7 mt -67.25 -46.62 73.17 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.108 0.563 . . . . 0.0 111.147 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.85 -46.12 88.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.876 0.87 . . . . 0.0 109.902 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.01 1.45 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.483 1.513 . . . . 0.0 109.337 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.89 -28.89 67.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.682 1.128 . . . . 0.0 113.428 -173.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.99 58.14 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 128.086 2.555 . . . . 0.0 109.287 -171.375 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 39.7 p-90 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -17.88 57.81 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.444 -1.198 . . . . 0.0 115.164 -172.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.09 -36.75 9.59 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.093 1.947 . . . . 0.0 110.764 166.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.46 -45.62 73.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.113 1.324 . . . . 0.0 109.783 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.37 70.29 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.058 -0.972 . . . . 0.0 112.393 175.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -64.51 -41.81 96.19 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.053 1.297 . . . . 0.0 110.293 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -58.23 -53.87 53.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.86 -4.24 4.24 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.123 2.169 . . . . 0.0 113.647 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -91.47 -17.16 26.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.394 1.477 . . . . 0.0 111.069 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.44 -55.44 5.38 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.583 1.538 . . . . 0.0 110.234 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -67.54 157.58 34.0 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.856 1.262 . . . . 0.0 110.748 177.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -120.23 -172.45 2.36 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.766 1.627 . . . . 0.0 107.363 169.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HE3' ' O ' ' A' ' 106' ' ' THR . 3.4 mptt -53.04 -15.57 0.85 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -175.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.88 -37.63 32.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.02 2.128 . . . . 0.0 112.187 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.42 -6.15 0.48 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.402 0.681 . . . . 0.0 111.921 169.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.95 -40.09 75.77 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.481 -2.012 . . . . 0.0 111.201 165.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -57.81 -55.41 35.26 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 173.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -54.47 -38.81 66.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.296 1.038 . . . . 0.0 111.023 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -56.27 -61.3 2.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.531 1.06 . . . . 0.0 110.033 172.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -27.52 67.25 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.257 0.935 . . . . 0.0 112.81 -172.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -63.08 -68.11 0.37 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 129.464 3.105 . . . . 0.0 108.749 172.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.33 -47.1 86.67 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.331 1.452 . . . . 0.0 109.375 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -50.75 -52.41 40.88 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.33 1.452 . . . . 0.0 111.14 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.29 -21.68 65.67 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.495 -0.753 . . . . 0.0 112.194 -176.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -88.31 -45.33 10.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.14 0.976 . . . . 0.0 109.988 -176.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -61.94 1.98 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.777 2.031 . . . . 0.0 109.745 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.473 0 C-N-CA 127.23 2.212 . . . . 0.0 113.648 -177.741 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' HE3' ' CG ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 119.034 -0.508 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.43 ' O ' ' HE3' ' A' ' 76' ' ' LYS 0.267 2.2 t -133.07 16.23 4.17 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.558 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.41 152.63 20.5 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 119.932 -1.73 . . . . 0.0 107.6 159.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.5 -35.23 74.89 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 169.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ptp -68.44 -7.62 33.44 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.694 -1.474 . . . . 0.0 113.105 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -99.09 -29.91 12.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.232 1.413 . . . . 0.0 111.338 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.95 -27.75 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 119.662 -1.899 . . . . 0.0 110.8 168.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -61.03 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.119 1.368 . . . . 0.0 112.396 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 p -56.69 -31.24 64.27 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.448 ' CG ' ' HE3' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -68.97 -40.03 79.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.851 0.75 . . . . 0.0 111.138 179.577 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.52 -44.47 82.41 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.792 -0.567 . . . . 0.0 109.512 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 10.4 t -67.39 -31.8 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 122.941 0.496 . . . . 0.0 110.473 173.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.55 87.92 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.152 -0.968 . . . . 0.0 111.788 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -74.73 -58.29 3.38 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.681 -0.637 . . . . 0.0 110.858 175.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.68 6.64 6.79 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -162.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 70.58 -106.85 1.97 Allowed Glycine 0 C--O 1.216 -0.999 0 CA-C-O 123.031 1.351 . . . . 0.0 111.353 -178.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -120.61 -46.18 2.38 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.513 -2.169 . . . . 0.0 110.458 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -52.7 -82.77 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 -174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -19.18 64.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.657 1.117 . . . . 0.0 111.354 177.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -17.51 63.72 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 120.168 1.349 . . . . 0.0 111.824 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -54.9 2.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 124.051 0.94 . . . . 0.0 108.82 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.12 -37.51 15.58 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.731 1.605 . . . . 0.0 114.889 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -56.19 4.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 172.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.78 24.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -52.47 -38.93 60.48 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 128.406 2.682 . . . . 0.0 111.445 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -53.09 -34.77 58.11 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -12.75 61.04 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.706 -1.246 . . . . 0.0 110.986 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . 0.403 ' CZ3' HD11 ' A' ' 140' ' ' LEU . 7.4 m95 -78.85 -18.35 54.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 120.69 -1.256 . . . . 0.0 112.565 169.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.03 -57.2 12.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 161.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.35 -50.31 74.12 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.775 1.23 . . . . 0.0 112.312 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 42.2 mtp -84.29 -12.24 55.0 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.414 -0.804 . . . . 0.0 112.802 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.29 7.3 88.56 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 119.338 0.972 . . . . 0.0 115.406 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.32 80.85 5.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.127 1.464 . . . . 0.0 108.539 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -55.09 -46.42 75.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.498 177.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.1 p -46.87 -53.35 12.32 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 126.473 1.909 . . . . 0.0 111.183 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.403 HD11 ' CZ3' ' A' ' 132' ' ' TRP . 89.5 mt -68.34 -40.71 81.48 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.754 -0.591 . . . . 0.0 110.864 -174.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 20.6 t -60.59 -43.84 96.9 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.271 0.487 . . . . 0.0 110.414 173.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.88 -63.55 1.06 Allowed 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.397 1.479 . . . . 0.0 108.88 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -53.54 -26.04 19.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.478 1.49 . . . . 0.0 113.152 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.65 63.58 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.14 1.336 . . . . 0.0 113.126 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 . . . . . 0 CA--C 1.536 0.406 0 CA-C-N 120.822 1.646 . . . . 0.0 112.747 -163.056 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 122.161 0.981 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.03 176.2 4.58 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.456 1.102 . . . . 0.0 109.695 164.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' HA3' ' CE3' ' A' ' 64' ' ' TRP . . . -132.72 -174.69 13.69 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 122.026 -0.421 . . . . 0.0 112.971 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.02 -46.77 50.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 125.048 1.308 . . . . 0.0 110.741 169.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.54 65.04 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 126.515 1.926 . . . . 0.0 106.065 163.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.452 ' CE3' ' HA3' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -150.53 -66.31 0.2 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.722 -0.611 . . . . 0.0 110.808 -174.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.88 -113.47 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -47.84 -22.01 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 127.629 2.372 . . . . 0.0 113.744 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.43 -51.13 37.54 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.309 1.413 . . . . 0.0 109.662 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.58 -11.24 60.57 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.87 -42.37 63.74 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 119.891 1.223 . . . . 0.0 109.547 171.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -57.7 -45.95 85.01 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.67 17.06 0.58 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.534 1.134 . . . . 0.0 112.904 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -24.06 13.76 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.86 -1.15 . . . . 0.0 110.263 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -49.59 64.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.576 0.625 . . . . 0.0 109.403 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -96.8 151.64 19.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.093 0.949 . . . . 0.0 111.884 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -126.83 -168.75 1.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 128.606 2.763 . . . . 0.0 107.108 -175.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -27.84 34.85 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 0.0 112.821 -171.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.17 -34.97 4.66 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -143.37 -9.07 0.75 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 170.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.18 -37.53 83.26 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.922 2.146 . . . . 0.0 111.747 171.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' O ' ' HE3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -62.15 -52.81 62.32 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.677 169.56 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.65 -37.6 73.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.659 1.118 . . . . 0.0 111.034 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.85 -59.12 5.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 119.055 0.843 . . . . 0.0 111.087 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -63.08 -23.64 67.54 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.753 -0.592 . . . . 0.0 112.232 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.06 -65.84 0.79 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 127.649 2.38 . . . . 0.0 109.932 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 mt -50.36 -44.35 54.64 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.114 2.166 . . . . 0.0 111.329 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 tp -40.89 -59.23 1.48 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.553 2.341 . . . . 0.0 110.923 168.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.76 -20.16 64.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.023 0.529 . . . . 0.0 112.169 -171.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -77.64 -51.33 10.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -54.09 50.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.019 1.328 . . . . 0.0 109.409 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 24.15 91.29 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 129.694 3.198 . . . . 0.0 113.227 167.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -52.92 -8.37 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.672 2.389 . . . . 0.0 116.822 -160.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -50.67 -60.14 3.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.372 1.469 . . . . 0.0 110.786 165.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 59.4 104.14 0.02 OUTLIER 'General case' 0 C--N 1.342 0.272 0 C-N-CA 127.094 2.157 . . . . 0.0 110.705 -163.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -150.77 170.16 19.91 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.572 1.149 . . . . 0.0 108.689 171.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m -72.75 49.96 0.24 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.501 2.32 . . . . 0.0 113.287 -172.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.21 -45.56 0.13 Allowed 'General case' 0 N--CA 1.462 0.16 0 O-C-N 121.001 -1.062 . . . . 0.0 109.991 168.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.24 37.08 63.47 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 123.302 0.477 . . . . 0.0 112.493 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -136.69 173.07 12.1 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 127.103 2.161 . . . . 0.0 106.928 168.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 p -109.23 159.0 32.9 Favored Pre-proline 0 N--CA 1.449 -0.524 0 C-N-CA 124.517 1.127 . . . . 0.0 109.472 164.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.36 167.07 28.02 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.477 2.118 . . . . 0.0 111.347 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.88 115.26 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 129.151 2.98 . . . . 0.0 113.262 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -61.42 142.39 93.91 Favored Pre-proline 0 C--O 1.238 0.461 0 C-N-CA 125.012 1.325 . . . . 0.0 110.885 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -72.9 155.42 53.27 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 121.706 1.604 . . . . 0.0 112.291 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -142.75 14.07 1.92 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -174.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.67 120.64 41.58 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -168.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.266 12.9 t -109.88 -35.13 6.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.494 -168.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.6 t -79.25 161.86 26.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 120.578 1.535 . . . . 0.0 108.583 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.46 -42.69 90.03 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 170.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.6 mtm -55.04 -39.94 69.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 122.038 0.923 . . . . 0.0 111.099 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.75 -42.0 59.04 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.426 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.49 -25.24 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.387 0.675 . . . . 0.0 109.948 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.46 -65.39 0.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.028 -1.045 . . . . 0.0 111.618 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.4 m -65.64 -16.96 64.23 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.49 -54.97 10.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.716 1.206 . . . . 0.0 109.191 169.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.19 -34.76 76.87 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.577 -0.702 . . . . 0.0 111.946 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.24 -23.33 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 121.83 -0.544 . . . . 0.0 110.907 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.25 -47.59 17.59 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.018 -1.051 . . . . 0.0 109.5 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -52.4 -46.53 66.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.816 0.846 . . . . 0.0 110.064 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.75 -77.48 0.59 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.962 0.905 . . . . 0.0 110.241 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 151.14 -172.78 30.71 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 105.208 -3.157 . . . . 0.0 105.208 -162.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.93 -42.89 85.76 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.445 2.123 . . . . 0.0 110.204 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.61 -79.6 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.637 1.175 . . . . 0.0 111.284 -168.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -70.46 -4.99 25.38 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 117.335 -1.317 . . . . 0.0 112.061 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.04 -72.75 0.14 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 120.457 1.481 . . . . 0.0 107.75 160.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -72.05 -40.6 68.23 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -165.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.16 -40.51 81.62 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.026 -1.046 . . . . 0.0 111.067 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 tt -77.28 -36.55 54.18 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.877 1.271 . . . . 0.0 109.315 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.99 78.31 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.446 -1.409 . . . . 0.0 111.566 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.11 -20.79 65.84 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.634 1.573 . . . . 0.0 112.524 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -75.91 -47.3 25.83 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.871 -0.518 . . . . 0.0 110.875 161.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.7 m -61.78 -25.76 67.67 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.486 -1.384 . . . . 0.0 111.315 -168.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -76.21 -21.3 56.61 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.268 -1.52 . . . . 0.0 112.546 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -36.57 84.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.974 1.31 . . . . 0.0 109.275 167.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.92 -59.82 3.47 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.355 0.662 . . . . 0.0 109.511 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -61.75 -47.79 83.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.129 0.877 . . . . 0.0 112.369 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.86 41.98 1.75 Allowed Glycine 0 CA--C 1.522 0.52 0 CA-C-N 118.715 0.689 . . . . 0.0 111.817 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -104.12 70.64 0.99 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 118.542 1.171 . . . . 0.0 108.268 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -60.31 -32.52 71.3 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.629 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -57.09 -42.27 80.39 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 119.099 -0.477 . . . . 0.0 110.552 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.8 -48.82 43.82 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 118.662 0.665 . . . . 0.0 109.316 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.25 -27.64 47.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.288 1.035 . . . . 0.0 112.43 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.43 -61.65 1.88 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.224 1.41 . . . . 0.0 109.407 171.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -49.31 -42.16 40.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.9 2.08 . . . . 0.0 111.913 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -20.1 52.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.398 1.879 . . . . 0.0 113.299 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -127.2 -7.82 5.9 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.428 1.491 . . . . 0.0 112.259 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.9 0.91 2.15 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.722 2.409 . . . . 0.0 114.033 -171.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.67 13.93 61.88 Favored Glycine 0 CA--C 1.532 1.126 0 O-C-N 121.411 -0.805 . . . . 0.0 112.363 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -115.37 -25.07 8.12 Favored 'General case' 0 N--CA 1.461 0.114 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -158.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 67.82 41.81 87.8 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.688 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.59 -171.45 0.19 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.933 1.693 . . . . 0.0 110.018 -164.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.532 0.28 0 O-C-N 121.468 -0.77 . . . . 0.0 109.042 178.519 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.411 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 97.44 105.72 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 131.545 3.938 . . . . 0.0 110.835 -171.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.61 -0.13 0.53 Allowed Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.245 2.355 . . . . 0.0 116.965 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.21 10.27 78.13 Favored Glycine 0 N--CA 1.466 0.648 0 CA-C-N 120.122 1.961 . . . . 0.0 112.204 -161.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.43 -2.0 2.8 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 125.636 1.575 . . . . 0.0 110.964 -171.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.37 -78.46 0.06 Allowed 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.751 -1.218 . . . . 0.0 109.825 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 51.35 -114.1 2.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -25.39 61.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 118.259 -0.876 . . . . 0.0 112.277 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -50.81 -50.95 55.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 119.836 1.198 . . . . 0.0 111.0 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.12 -21.7 66.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.515 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.74 -35.48 77.16 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.011 1.278 . . . . 0.0 111.278 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -65.65 -44.17 87.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.333 0.97 . . . . 0.0 108.702 172.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt -72.68 -2.58 20.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.4 0.68 . . . . 0.0 112.58 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.11 -7.6 55.44 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.295 1.438 . . . . 0.0 111.673 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -69.13 0.66 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 120.074 1.307 . . . . 0.0 108.974 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.16 165.94 12.76 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 111.98 178.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -132.13 -167.72 1.93 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.803 2.041 . . . . 0.0 107.397 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -51.54 -29.28 16.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.37 1.468 . . . . 0.0 112.033 -166.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -42.46 -43.33 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.918 2.087 . . . . 0.0 112.386 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -125.8 -28.95 3.17 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.698 0.799 . . . . 0.0 110.137 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.9 tp -50.39 -34.7 25.24 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 119.44 -2.038 . . . . 0.0 113.09 170.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -52.53 63.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.098 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.25 -44.41 79.63 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 116.698 -1.62 . . . . 0.0 109.752 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.86 -61.39 2.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 121.204 1.82 . . . . 0.0 110.17 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -66.01 -26.14 67.4 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.38 -1.45 . . . . 0.0 112.023 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -57.46 3.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.045 -1.035 . . . . 0.0 110.759 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.05 -21.78 34.0 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.013 1.325 . . . . 0.0 112.085 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -68.19 0.39 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.43 78.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.933 1.293 . . . . 0.0 111.489 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -67.04 -19.0 65.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.325 1.45 . . . . 0.0 113.518 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -83.02 -54.12 5.3 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 166.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.25 -61.18 2.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.845 2.058 . . . . 0.0 111.0 -165.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.11 151.95 1.79 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.536 1.934 . . . . 0.0 107.799 174.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t 60.61 -164.37 0.23 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.343 1.057 . . . . 0.0 111.129 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.99 -47.61 1.5 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.468 1.107 . . . . 0.0 109.696 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t 50.23 87.49 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 126.844 2.058 . . . . 0.0 112.63 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -146.42 105.3 3.86 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 160.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 p -154.76 142.88 20.27 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.98 1.6 51.58 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.327 0.965 . . . . 0.0 112.885 -172.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.45 165.26 12.33 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.707 0.803 . . . . 0.0 112.555 -154.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m 66.76 142.06 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 129.464 3.105 . . . . 0.0 111.785 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -73.94 -179.45 4.63 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.492 2.795 . . . . 0.0 109.632 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.89 52.09 12.54 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.166 0.986 . . . . 0.0 109.049 -163.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -67.5 139.5 94.32 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.39 149.72 40.24 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 124.825 3.683 . . . . 0.0 111.601 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -136.46 90.71 2.59 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -131.99 101.01 5.25 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 160.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -132.3 65.95 1.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.697 1.199 . . . . 0.0 107.928 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 65.8 m -134.12 143.57 48.05 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 166.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.66 46.09 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.001 0.81 . . . . 0.0 111.179 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.1 mtm -54.18 -35.8 62.72 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.418 1.087 . . . . 0.0 112.476 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -90.56 -40.79 11.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.986 -167.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.48 -37.25 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 167.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.72 66.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.353 0.979 . . . . 0.0 112.549 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -60.08 -29.2 68.41 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.066 -0.396 . . . . 0.0 111.178 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.34 -43.1 58.05 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.4 1.48 . . . . 0.0 110.239 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.94 -42.41 76.76 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.375 -0.828 . . . . 0.0 110.665 -172.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.82 -30.87 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.908 0.776 . . . . 0.0 110.05 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.03 -0.18 26.91 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -117.41 -40.28 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 0.0 109.646 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.22 -17.51 10.78 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.904 1.681 . . . . 0.0 114.667 -172.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.95 155.97 0.96 Allowed Glycine 0 CA--C 1.53 1.007 0 CA-C-N 119.6 1.091 . . . . 0.0 111.155 -165.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -8.51 12.18 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -170.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -68.41 -81.62 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.761 0.824 . . . . 0.0 109.111 166.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.28 -28.66 70.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.679 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.29 -16.75 48.88 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.64 1.109 . . . . 0.0 112.115 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -113.32 -46.99 3.04 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 119.568 1.076 . . . . 0.0 111.767 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.97 -32.83 68.24 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.521 1.055 . . . . 0.0 112.094 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.7 tt -81.49 -37.06 28.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.622 -1.299 . . . . 0.0 110.018 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.43 76.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.659 0.784 . . . . 0.0 110.944 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.79 -34.36 67.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.481 -0.762 . . . . 0.0 110.567 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -70.16 -57.35 5.03 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.493 1.042 . . . . 0.0 110.675 167.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.5 m -39.42 -47.6 1.82 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.623 1.969 . . . . 0.0 113.767 -163.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -92.17 -3.04 56.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -173.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -55.71 -53.72 53.16 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.714 159.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -67.09 -17.5 64.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.363 -0.827 . . . . 0.0 112.597 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.5 mtm -80.68 -8.93 59.8 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.117 1.326 . . . . 0.0 112.773 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.82 43.02 85.27 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 120.044 1.293 . . . . 0.0 112.404 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.583 0.0 OUTLIER -126.72 59.02 1.39 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.405 1.482 . . . . 0.0 111.617 170.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -57.62 -25.17 59.73 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.4 m -63.79 -22.93 67.15 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.073 1.306 . . . . 0.0 113.12 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.23 -57.29 9.9 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.111 1.365 . . . . 0.0 108.405 168.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -49.22 24.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.67 1.588 . . . . 0.0 109.941 176.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.34 25.2 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -54.66 -36.98 65.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.813 0.733 . . . . 0.0 112.228 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.64 -21.13 9.65 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.358 1.463 . . . . 0.0 113.034 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -133.75 16.48 3.93 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.862 1.21 . . . . 0.0 111.534 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -130.02 75.97 1.69 Allowed 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.65 1.58 . . . . 0.0 108.2 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 72.98 -19.22 1.27 Allowed Glycine 0 CA--C 1.533 1.211 0 CA-C-O 117.878 -1.512 . . . . 0.0 113.912 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 94.92 7.16 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 130.371 3.468 . . . . 0.0 111.792 -173.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 104.64 -162.32 14.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 -169.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -68.71 174.13 4.57 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.721 0.809 . . . . 0.0 109.401 169.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.451 -0.423 0 O-C-N 121.91 -0.494 . . . . 0.0 110.495 -178.029 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.6 ppp? . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -100.48 102.14 13.26 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.795 1.238 . . . . 0.0 109.314 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.43 -80.33 0.03 OUTLIER Glycine 0 CA--C 1.522 0.526 0 C-N-CA 125.69 1.614 . . . . 0.0 109.666 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.67 60.32 0.04 OUTLIER Glycine 0 C--N 1.333 0.407 0 CA-C-O 118.549 -1.139 . . . . 0.0 111.657 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 55.7 40.34 30.86 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.911 1.284 . . . . 0.0 112.538 -171.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -134.31 -162.19 1.22 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 172.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.29 -79.18 0.31 Allowed Glycine 0 CA--C 1.508 -0.355 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 mtm105 -41.84 -52.29 4.05 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.153 1.381 . . . . 0.0 111.686 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -44.98 77.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.82 60.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.87 0.759 . . . . 0.0 111.877 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -66.38 -58.89 4.33 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.342 1.457 . . . . 0.0 109.427 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -65.4 -37.55 87.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 120.717 -1.239 . . . . 0.0 110.733 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.48 -1.94 7.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.817 1.647 . . . . 0.0 112.367 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -101.27 -20.64 15.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 110.671 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -53.71 45.47 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 119.901 1.228 . . . . 0.0 108.166 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.4 154.29 24.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.637 1.208 . . . . 0.0 110.437 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -120.46 179.6 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.226 1.811 . . . . 0.0 106.8 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -27.73 0.64 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.574 1.55 . . . . 0.0 114.023 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -31.07 -61.32 0.19 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.996 2.118 . . . . 0.0 112.061 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -118.19 -25.79 6.53 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.988 1.715 . . . . 0.0 110.669 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.1 -31.96 71.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.245 1.418 . . . . 0.0 111.028 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -68.0 0.35 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 115.534 -2.174 . . . . 0.0 110.107 172.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 85' ' ' LEU . 14.4 mt-10 -28.83 -61.95 0.12 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 125.815 1.947 . . . . 0.0 109.01 166.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -50.99 -66.8 0.32 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.381 1.446 . . . . 0.0 113.914 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -31.68 72.58 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.97 -1.706 . . . . 0.0 112.551 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.48 -62.01 1.59 Allowed 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.332 2.253 . . . . 0.0 109.628 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -58.72 -31.25 68.1 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 128.805 2.842 . . . . 0.0 111.55 177.723 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.01 -56.31 13.84 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.584 1.154 . . . . 0.0 109.021 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.65 81.36 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.661 0.384 . . . . 0.0 110.495 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -55.87 -58.79 6.4 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.91 0.884 . . . . 0.0 110.508 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.83 64.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.758 -172.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.93 -71.97 0.16 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 172.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.56 106.29 0.08 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.432 1.893 . . . . 0.0 109.951 -176.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -148.06 -76.94 0.17 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.114 163.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.3 ttm-85 -159.81 146.1 16.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.032 1.287 . . . . 0.0 110.533 164.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 p -80.5 53.3 1.81 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.639 1.176 . . . . 0.0 112.466 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.7 m -157.94 -162.31 1.14 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 128.804 2.842 . . . . 0.0 106.892 175.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 p -118.25 146.25 44.42 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.91 1.284 . . . . 0.0 107.638 157.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.89 28.39 2.01 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.7 1.619 . . . . 0.0 111.347 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 58.06 94.68 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 129.038 2.935 . . . . 0.0 113.509 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 45.0 p -58.24 133.86 84.64 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.542 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.57 172.37 15.3 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.878 1.719 . . . . 0.0 112.952 -163.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.71 65.04 2.41 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.171 1.389 . . . . 0.0 110.689 174.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.4 ' O ' ' HE2' ' A' ' 105' ' ' LYS . 21.3 mm-40 -83.68 159.46 60.83 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 158.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.03 -168.01 0.56 Allowed 'Trans proline' 0 N--CA 1.455 -0.756 1 C-N-CA 125.469 4.113 . . . . 0.0 109.723 160.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 48.98 56.71 7.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 127.073 2.149 . . . . 0.0 111.539 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.4 ' HE2' ' O ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -159.2 -170.73 3.09 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.492 1.917 . . . . 0.0 109.284 -175.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.26 5.7 t 60.61 -11.51 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 128.17 2.588 . . . . 0.0 116.131 173.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 m -134.8 145.46 48.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.717 1.144 . . . . 0.0 109.253 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.64 70.06 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 119.58 -0.566 . . . . 0.0 111.982 -169.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.3 ptp -68.06 -20.89 65.01 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -54.1 5.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.48 -33.44 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.352 1.061 . . . . 0.0 109.235 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.81 -56.6 17.66 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.252 1.021 . . . . 0.0 112.684 173.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -35.53 74.8 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.286 0.366 . . . . 0.0 110.44 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -35.37 78.87 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.969 0.508 . . . . 0.0 109.652 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tp -68.62 -45.11 72.78 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 120.587 -1.321 . . . . 0.0 110.228 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.4 t -67.97 -23.25 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.945 0.898 . . . . 0.0 110.52 174.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.73 -30.28 40.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.556 -1.34 . . . . 0.0 111.405 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -78.61 -48.18 15.65 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.524 -1.36 . . . . 0.0 110.558 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -128.1 -36.66 1.94 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 117.23 -1.367 . . . . 0.0 113.672 -172.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.55 -121.76 5.21 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 119.468 1.031 . . . . 0.0 111.515 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -118.87 -23.61 6.89 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.639 -1.506 . . . . 0.0 112.045 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -73.74 -90.96 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.283 1.033 . . . . 0.0 108.365 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -59.9 -26.18 65.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.032 -1.042 . . . . 0.0 113.306 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.76 -18.99 58.14 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.493 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -118.32 -51.96 2.4 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -45.92 -34.8 4.13 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.147 1.779 . . . . 0.0 114.503 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.03 -39.02 11.88 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 119.926 -1.734 . . . . 0.0 109.867 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.44 66.25 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.006 1.722 . . . . 0.0 111.541 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -48.19 80.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.713 1.205 . . . . 0.0 110.275 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 0.6 OUTLIER -55.55 -34.56 64.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.103 0.961 . . . . 0.0 111.444 172.255 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.1 m -67.59 -27.99 67.38 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.452 -1.405 . . . . 0.0 110.25 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -68.95 -27.6 65.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.334 -0.854 . . . . 0.0 111.017 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.83 -35.81 75.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.317 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -58.77 -43.8 90.48 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.504 1.047 . . . . 0.0 110.226 170.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 50.4 mtp -74.66 -11.19 60.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.67 13.15 63.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.291 0.95 . . . . 0.0 114.539 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.663 0.0 OUTLIER -118.5 63.41 0.77 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.886 1.843 . . . . 0.0 114.796 -179.047 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -55.66 -19.55 11.04 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 120.073 -1.642 . . . . 0.0 113.71 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.64 -46.84 5.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 120.387 1.449 . . . . 0.0 113.566 165.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.4 mt -72.05 -41.13 67.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 39.3 t -57.88 -42.17 84.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.306 1.442 . . . . 0.0 110.861 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.19 -70.28 0.22 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.16 2.184 . . . . 0.0 109.373 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.73 -35.54 61.3 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.63 1.104 . . . . 0.0 111.719 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.93 68.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 117.383 -1.294 . . . . 0.0 113.756 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -100.54 -24.8 14.38 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.769 1.622 . . . . 0.0 111.194 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.15 9.7 4.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.898 1.679 . . . . 0.0 111.431 -170.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 159.16 -23.17 0.31 Allowed Glycine 0 CA--C 1.521 0.436 0 C-N-CA 125.999 1.762 . . . . 0.0 111.929 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 65.5 -84.58 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 126.121 1.768 . . . . 0.0 112.151 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 174.02 165.78 31.16 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 127.013 2.244 . . . . 0.0 108.452 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -127.89 -89.94 0.52 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 174.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.447 -0.58 0 C-N-CA 128.496 2.718 . . . . 0.0 105.333 173.488 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 122.972 1.368 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.76 29.72 19.29 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.88 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.59 57.2 0.58 Allowed Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 -172.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -120.38 -46.15 0.37 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 125.732 1.634 . . . . 0.0 111.263 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.61 -17.15 49.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -102.7 -67.87 0.86 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.229 -168.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.35 -107.71 0.73 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.312 1.434 . . . . 0.0 111.695 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -29.53 3.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.327 1.851 . . . . 0.0 113.232 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -37.73 -48.15 1.05 Allowed 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 126.458 1.903 . . . . 0.0 112.367 173.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.04 -25.62 65.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 118.341 -0.838 . . . . 0.0 112.208 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.14 -38.09 66.39 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.539 1.063 . . . . 0.0 111.007 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -61.64 -15.45 39.82 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.252 1.021 . . . . 0.0 110.836 171.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 mt -118.96 13.27 13.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.782 2.033 . . . . 0.0 110.734 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -114.5 -26.74 7.8 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.001 1.72 . . . . 0.0 109.375 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -31.1 65.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.871 0.468 . . . . 0.0 110.634 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.71 159.71 21.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.421 1.888 . . . . 0.0 109.659 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -124.46 -171.49 2.35 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.504 1.922 . . . . 0.0 107.216 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -11.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 126.451 1.9 . . . . 0.0 115.902 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -37.39 -55.87 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 125.658 1.583 . . . . 0.0 112.218 156.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -144.31 -18.33 0.56 Allowed 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 124.731 1.212 . . . . 0.0 110.936 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 tp -55.57 -34.83 65.13 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 119.471 -2.018 . . . . 0.0 111.29 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -62.64 1.7 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.451 1.9 . . . . 0.0 110.907 164.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.0 -34.44 42.72 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.624 1.102 . . . . 0.0 110.285 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -58.47 -60.05 4.41 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.35 0.977 . . . . 0.0 110.931 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -64.23 -14.49 55.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.001 0.819 . . . . 0.0 112.908 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -61.74 1.66 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.816 1.246 . . . . 0.0 108.939 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.87 -21.01 62.83 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.944 1.298 . . . . 0.0 110.186 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.22 -61.38 2.61 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.23 1.412 . . . . 0.0 108.991 173.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.41 -21.3 66.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -72.64 -25.66 61.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.306 1.042 . . . . 0.0 112.268 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -86.26 -41.49 14.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.241 166.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.63 168.14 3.94 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.865 0.841 . . . . 0.0 112.797 -172.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -133.69 -52.43 0.86 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.259 1.024 . . . . 0.0 111.951 -165.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -143.78 147.86 34.77 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.777 1.231 . . . . 0.0 111.083 -169.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 mtm105 -126.85 -103.63 0.34 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.319 1.448 . . . . 0.0 108.803 -175.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.44 74.89 1.6 Allowed 'General case' 0 C--O 1.233 0.213 0 N-CA-C 105.179 -2.156 . . . . 0.0 105.179 173.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.9 m 54.33 -175.44 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.859 0.864 . . . . 0.0 111.82 -160.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.81 95.09 0.87 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 161.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.96 7.6 10.06 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-O 118.418 -1.212 . . . . 0.0 113.913 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.85 135.21 56.82 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 118.883 1.341 . . . . 0.0 111.216 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.9 p -73.99 148.66 87.05 Favored Pre-proline 0 C--O 1.24 0.559 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 157.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.34 166.68 22.7 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.95 2.433 . . . . 0.0 111.874 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 66.8 152.41 0.07 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 129.182 2.993 . . . . 0.0 112.593 -170.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.23 138.14 71.92 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.467 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.25 130.4 15.17 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 123.463 2.775 . . . . 0.0 110.42 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.83 73.01 4.89 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.485 1.114 . . . . 0.0 108.02 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -133.82 114.06 12.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 169.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.269 14.0 t -140.07 73.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -140.36 136.78 33.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.52 -54.76 30.68 Favored Glycine 0 CA--C 1.524 0.598 0 O-C-N 123.691 0.62 . . . . 0.0 111.913 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -17.19 64.55 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.037 1.335 . . . . 0.0 113.614 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -87.64 -60.34 2.0 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.4 t -54.41 -27.53 17.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.861 0.864 . . . . 0.0 109.269 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.76 -57.3 11.41 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.927 1.291 . . . . 0.0 114.224 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.9 t -55.17 -38.29 68.11 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.223 0.609 . . . . 0.0 109.793 174.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.32 -47.25 57.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.625 1.17 . . . . 0.0 109.721 -171.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.71 -48.92 79.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 119.186 0.903 . . . . 0.0 110.445 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -38.19 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.836 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.19 71.69 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.867 0.758 . . . . 0.0 110.941 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -68.26 -60.68 2.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.496 1.118 . . . . 0.0 111.607 -172.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -93.92 -19.24 21.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.247 -166.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.42 168.51 44.29 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -161.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.05 -29.04 67.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -160.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.14 -71.06 0.19 Allowed 'General case' 0 C--N 1.343 0.323 0 CA-C-N 120.201 1.364 . . . . 0.0 110.524 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -59.04 -25.42 63.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.111 1.364 . . . . 0.0 110.375 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.57 -13.02 18.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -50.46 2.15 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 124.139 0.975 . . . . 0.0 110.216 161.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -55.85 -21.69 21.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 129.651 3.18 . . . . 0.0 115.546 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -48.23 4.75 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.059 1.344 . . . . 0.0 108.252 169.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.5 -46.59 13.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.249 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -42.77 83.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 125.331 1.452 . . . . 0.0 111.547 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.09 -44.59 97.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.7 m -58.71 -22.36 57.23 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.79 -0.569 . . . . 0.0 111.965 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -72.86 -29.71 63.41 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.809 -1.182 . . . . 0.0 112.376 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -30.57 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.739 0.7 . . . . 0.0 110.293 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -83.6 -29.71 27.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.579 1.552 . . . . 0.0 112.177 175.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.91 -33.36 75.43 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.949 1.25 . . . . 0.0 112.11 170.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 114.12 -1.81 24.05 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 117.796 -1.558 . . . . 0.0 114.136 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.9 86.15 2.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 119.363 1.581 . . . . 0.0 109.001 -154.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -46.95 87.77 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 t -59.52 -37.14 77.57 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.547 0.739 . . . . 0.0 110.769 -173.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.0 -51.11 65.81 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.63 0.772 . . . . 0.0 109.454 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.81 -45.92 91.76 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.067 0.547 . . . . 0.0 110.721 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.74 64.25 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.572 1.149 . . . . 0.0 109.221 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -63.06 -11.07 16.98 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.693 -1.255 . . . . 0.0 112.741 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -96.74 -5.59 38.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.524 -1.36 . . . . 0.0 113.379 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -148.67 49.99 1.0 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.223 1.809 . . . . 0.0 109.946 -175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -141.54 20.87 2.2 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.639 1.976 . . . . 0.0 112.505 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.51 11.35 38.7 Favored Glycine 0 CA--C 1.523 0.552 0 O-C-N 120.737 -1.227 . . . . 0.0 112.521 175.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.82 79.84 1.6 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.101 1.361 . . . . 0.0 108.821 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 114.59 -95.4 0.72 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 125.501 1.524 . . . . 0.0 109.538 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 45.8 m170 54.75 -178.87 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.76 1.624 . . . . 0.0 112.166 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.235 0.307 0 C-N-CA 127.914 2.486 . . . . 0.0 107.288 167.677 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.829 0.347 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.18 179.98 2.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.242 1.817 . . . . 0.0 111.962 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.33 2.83 55.66 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.444 1.021 . . . . 0.0 111.663 -165.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.87 67.14 1.6 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -158.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.36 27.89 17.44 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 117.646 2.461 . . . . 0.0 117.646 156.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -117.3 -178.31 3.42 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 168.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.2 -107.4 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.5 mmt-85 -61.86 -8.95 5.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.612 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -42.07 -55.7 3.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.567 1.147 . . . . 0.0 109.968 166.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.87 0.45 7.24 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 8.3 t -93.31 -46.55 7.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.169 1.388 . . . . 0.0 109.33 167.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -61.32 -46.51 89.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.784 0.834 . . . . 0.0 109.738 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.11 6.77 2.51 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.719 1.208 . . . . 0.0 112.026 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.46 17.09 6.49 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.528 2.731 . . . . 0.0 108.681 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.437 ' CE2' HD22 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -79.81 -60.31 2.4 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 151.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 122.094 0.949 . . . . 0.0 112.362 -169.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -131.63 -161.25 1.11 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.646 1.578 . . . . 0.0 109.729 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -59.3 -21.17 59.28 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.867 1.212 . . . . 0.0 111.901 -172.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -45.62 -58.36 3.48 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.508 1.123 . . . . 0.0 109.531 167.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -124.53 -31.7 3.21 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.28 0.632 . . . . 0.0 110.274 -156.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -57.46 -42.01 81.71 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -47.42 60.11 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 116.823 -1.56 . . . . 0.0 109.171 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.86 -54.38 29.79 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.852 1.206 . . . . 0.0 109.379 170.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.02 -12.11 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -44.5 14.46 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.577 1.08 . . . . 0.0 108.29 169.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.59 -54.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.168 1.787 . . . . 0.0 110.262 -170.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.15 -22.62 63.09 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.267 1.027 . . . . 0.0 110.489 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -59.38 3.76 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.636 1.575 . . . . 0.0 107.784 173.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.3 72.84 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.0 0.364 . . . . 0.0 110.401 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.56 -42.28 99.44 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.303 1.041 . . . . 0.0 109.783 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HA ' ' HE3' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -62.59 -76.53 0.06 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.673 1.189 . . . . 0.0 108.777 173.087 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 39.21 -168.73 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.805 2.442 . . . . 0.0 113.229 -166.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -150.97 -35.42 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.506 -1.371 . . . . 0.0 111.438 176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 m -151.94 147.58 26.73 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.377 2.271 . . . . 0.0 106.168 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.72 -87.14 0.31 Allowed 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 158.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.0 m -141.84 -171.23 3.3 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.114 2.166 . . . . 0.0 107.584 170.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -59.01 -179.62 0.07 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.318 1.447 . . . . 0.0 111.983 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.9 p -38.38 90.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.922 2.489 . . . . 0.0 114.744 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.8 43.13 1.38 Allowed Glycine 0 C--N 1.334 0.434 0 CA-C-O 119.057 -0.857 . . . . 0.0 111.652 -165.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -62.53 121.35 13.09 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.963 0.881 . . . . 0.0 109.784 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -166.42 157.08 11.08 Favored Pre-proline 0 C--O 1.239 0.531 0 C-N-CA 127.195 2.198 . . . . 0.0 107.843 173.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.54 154.07 35.12 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.749 2.3 . . . . 0.0 110.584 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.16 160.74 11.98 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.29 -0.881 . . . . 0.0 111.329 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -136.98 149.14 65.61 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 124.787 1.235 . . . . 0.0 110.933 -171.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.2 160.47 23.33 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.889 3.059 . . . . 0.0 112.453 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -113.27 13.92 19.23 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.996 0.919 . . . . 0.0 112.762 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.02 160.53 17.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.948 0.499 . . . . 0.0 110.824 176.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -139.02 -21.09 0.96 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.11 161.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m -124.92 150.11 46.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.94 1.245 . . . . 0.0 111.032 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.35 -21.2 68.27 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.941 1.257 . . . . 0.0 113.679 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.1 ptp -62.33 -30.47 71.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.611 0.705 . . . . 0.0 112.719 168.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -22.1 14.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.579 0.627 . . . . 0.0 110.968 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.92 -35.5 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 O-C-N 120.974 -1.079 . . . . 0.0 110.118 168.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.99 77.4 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.48 80.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.206 0.603 . . . . 0.0 111.128 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -44.38 87.36 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.586 0.754 . . . . 0.0 109.169 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.71 -38.65 80.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.751 -1.218 . . . . 0.0 112.046 -173.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.72 -28.33 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 118.527 0.603 . . . . 0.0 109.668 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.89 -48.3 59.22 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.731 1.15 . . . . 0.0 110.657 169.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -59.89 -42.88 94.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 112.579 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -138.23 -8.06 1.54 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.44 161.04 10.96 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-N 120.763 1.62 . . . . 0.0 110.83 -164.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.63 -23.25 64.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.509 1.524 . . . . 0.0 114.477 -166.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -57.9 -75.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.582 1.153 . . . . 0.0 109.842 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -28.27 67.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.48 -173.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.93 47.93 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.531 -0.747 . . . . 0.0 112.585 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -115.94 -42.53 3.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.195 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.08 -42.75 39.89 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.188 -1.57 . . . . 0.0 112.318 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -36.88 46.7 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.49 0.662 . . . . 0.0 110.896 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.26 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.544 1.938 . . . . 0.0 111.798 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.11 -43.94 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 126.074 1.75 . . . . 0.0 109.915 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -61.91 -41.37 97.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.219 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.1 m -57.35 -22.58 43.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 111.183 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -75.88 -14.34 60.27 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.356 -1.465 . . . . 0.0 112.897 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.27 -22.8 61.16 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.722 1.147 . . . . 0.0 111.437 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.92 -58.27 6.59 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 167.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 26.2 mtp -81.03 -17.58 49.75 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -162.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.23 13.0 29.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 120.01 1.277 . . . . 0.0 114.696 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.76 64.48 1.77 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 120.966 -1.314 . . . . 0.0 110.94 -168.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -59.26 -48.27 82.26 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 m -63.92 -15.46 59.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.437 HD22 ' CE2' ' A' ' 73' ' ' PHE . 3.9 mm? -77.9 -50.13 12.82 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.881 1.218 . . . . 0.0 109.372 169.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.9 -32.17 70.51 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.768 0.827 . . . . 0.0 111.392 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.51 -72.13 0.14 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 108.471 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -45.68 -45.07 13.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.935 1.294 . . . . 0.0 113.357 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.37 -22.38 4.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.397 1.479 . . . . 0.0 114.074 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -128.87 3.51 5.38 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.039 2.536 . . . . 0.0 110.454 -168.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -132.33 64.43 1.6 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-O 123.616 1.674 . . . . 0.0 110.182 -168.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.67 -2.07 39.22 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 114.427 -1.26 . . . . 0.0 113.257 172.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 25.5 -94.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 130.04 3.336 . . . . 0.0 113.324 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 155.62 94.25 0.1 Allowed Glycine 0 C--N 1.337 0.605 0 CA-C-O 119.913 -0.382 . . . . 0.0 112.223 172.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 61.6 m80 65.31 161.89 0.14 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.258 3.023 . . . . 0.0 113.053 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 126.932 2.093 . . . . 0.0 110.389 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.9 mtp . . . . . 0 C--O 1.234 0.259 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.21 158.43 24.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.806 0.843 . . . . 0.0 111.153 173.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 135.8 -166.26 24.63 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 106.68 -2.568 . . . . 0.0 106.68 -177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.17 -33.01 86.08 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 116.961 -2.022 . . . . 0.0 114.898 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 154.74 49.97 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.784 2.434 . . . . 0.0 110.941 -166.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -153.25 143.17 22.12 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.952 1.701 . . . . 0.0 108.974 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 -90.9 0.3 Allowed Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 163.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.31 -10.85 26.75 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.153 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tp -50.36 -49.38 54.36 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.191 1.359 . . . . 0.0 110.045 163.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.0 66.51 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.99 -39.58 92.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.227 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -72.64 0.47 10.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.835 1.254 . . . . 0.0 113.306 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.46 16.09 14.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.061 0.846 . . . . 0.0 111.689 -171.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.08 -18.46 10.05 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.831 0.852 . . . . 0.0 112.23 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -45.25 73.92 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 170.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.97 156.31 26.01 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.041 1.401 . . . . 0.0 110.523 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -126.33 -177.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 126.208 1.803 . . . . 0.0 107.63 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.9 -16.24 16.63 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.974 -165.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.91 -61.1 2.23 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 119.594 1.088 . . . . 0.0 109.655 165.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.39 -31.69 10.81 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.662 0.785 . . . . 0.0 110.501 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.0 -40.94 81.99 Favored 'General case' 0 C--N 1.338 0.085 0 O-C-N 120.82 -1.175 . . . . 0.0 109.23 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -69.76 -51.25 35.69 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.32 -46.07 69.3 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 118.95 0.796 . . . . 0.0 110.932 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -53.95 -56.05 21.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 119.587 1.085 . . . . 0.0 111.503 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -63.07 -33.71 76.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.395 0.678 . . . . 0.0 112.177 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.66 -61.24 1.86 Allowed 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.114 -1.616 . . . . 0.0 108.682 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.5 mt -57.17 -49.01 77.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.003 2.121 . . . . 0.0 109.913 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tt -59.74 -50.87 72.16 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.048 1.295 . . . . 0.0 109.907 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.95 69.7 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.387 -0.821 . . . . 0.0 111.799 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -66.5 -47.6 72.46 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.452 1.024 . . . . 0.0 109.866 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -50.57 -57.55 7.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.954 2.102 . . . . 0.0 110.171 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.28 -20.48 63.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.51 1.124 . . . . 0.0 112.584 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.531 ' CG ' ' H ' ' A' ' 92' ' ' SER 0.257 2.9 p80 27.75 -126.65 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 128.094 2.558 . . . . 0.0 111.41 -167.399 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.531 ' H ' ' CG ' ' A' ' 91' ' ' HIS . 0.1 OUTLIER 24.41 77.84 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 C-N-CA 129.61 3.164 . . . . 0.0 114.884 160.193 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -135.83 59.91 1.7 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 156.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.5 m 49.13 -157.28 0.07 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.44 1.496 . . . . 0.0 112.961 168.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.1 m -55.44 150.39 11.83 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.297 1.039 . . . . 0.0 110.169 169.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.7 m -71.32 179.26 2.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.962 1.305 . . . . 0.0 110.708 173.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.78 -29.04 0.03 OUTLIER Glycine 0 CA--C 1.524 0.64 0 CA-C-O 117.103 -1.943 . . . . 0.0 113.697 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 43.41 94.41 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.929 2.492 . . . . 0.0 114.775 168.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.2 p -68.89 162.06 67.25 Favored Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 120.789 -1.194 . . . . 0.0 113.483 -167.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.61 -170.62 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.683 2.922 . . . . 0.0 110.904 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 65.76 173.27 0.23 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 127.72 2.408 . . . . 0.0 111.559 -167.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -68.09 128.69 93.25 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.2 141.22 35.49 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.323 2.016 . . . . 0.0 110.789 -164.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.42 59.2 1.06 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.769 2.428 . . . . 0.0 111.259 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -133.92 173.98 10.97 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 125.622 1.569 . . . . 0.0 110.612 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.411 0.0 OUTLIER 65.6 -26.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 129.973 3.309 . . . . 0.0 114.152 176.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.41 137.42 32.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 169.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.27 -56.94 14.78 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 124.66 1.124 . . . . 0.0 112.536 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 ptp -60.49 -30.82 69.95 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -29.27 64.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.145 0.884 . . . . 0.0 110.882 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.03 -24.96 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 121.546 -0.721 . . . . 0.0 109.793 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.37 -48.84 71.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.786 1.175 . . . . 0.0 110.112 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.4 m -55.77 -31.18 62.36 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.602 0.761 . . . . 0.0 111.742 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -46.63 13.7 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.297 0.953 . . . . 0.0 111.745 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.3 mt -68.44 -44.02 75.8 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.703 1.138 . . . . 0.0 111.398 -171.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.66 -28.33 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 118.701 0.682 . . . . 0.0 109.756 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.76 -12.6 59.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -90.31 -46.21 8.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.523 1.056 . . . . 0.0 110.407 167.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -120.28 -16.73 8.41 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -156.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.52 172.72 3.04 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-O 123.286 1.492 . . . . 0.0 111.063 -164.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -12.91 1.21 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.616 2.366 . . . . 0.0 114.362 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -75.21 -87.99 0.03 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 120.345 1.43 . . . . 0.0 110.136 167.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -67.44 -15.9 63.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.408 -169.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.64 -11.07 14.72 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 121.068 1.758 . . . . 0.0 112.554 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -51.83 2.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 123.359 0.664 . . . . 0.0 110.636 164.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -35.81 62.82 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -169.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.98 -48.89 11.64 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.18 59.37 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.962 1.305 . . . . 0.0 112.347 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.86 -49.18 20.62 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.75 2.02 . . . . 0.0 111.917 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.444 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 0.7 OUTLIER -57.18 -36.0 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.913 -0.492 . . . . 0.0 110.857 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.7 m -68.26 -21.46 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.22 -0.925 . . . . 0.0 110.411 -168.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -67.12 -35.54 79.99 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.752 -0.593 . . . . 0.0 111.242 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.87 -43.86 97.67 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -48.07 83.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.388 1.475 . . . . 0.0 111.595 177.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 9.3 mtm -76.05 -10.28 59.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.099 0.863 . . . . 0.0 112.995 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.41 88.84 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.345 -1.253 . . . . 0.0 114.72 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.01 83.2 5.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.866 1.833 . . . . 0.0 109.682 -170.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -63.33 -48.28 78.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.553 -174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -32.39 72.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.449 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.15 -48.56 79.54 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.683 1.583 . . . . 0.0 110.416 173.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -34.49 75.6 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.571 0.349 . . . . 0.0 110.719 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.29 50.81 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.522 1.129 . . . . 0.0 108.916 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -59.93 -25.48 65.2 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.079 1.352 . . . . 0.0 111.928 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.65 60.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.483 1.113 . . . . 0.0 113.551 172.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -137.28 3.25 2.59 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.591 1.542 . . . . 0.0 112.302 -169.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -132.99 -0.26 3.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.733 -1.229 . . . . 0.0 113.786 -167.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 57.81 32.98 66.75 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 123.92 0.771 . . . . 0.0 112.537 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.22 73.54 3.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 169.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -104.9 177.55 23.42 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 168.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -90.09 -175.88 4.7 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 167.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 156.869 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 122.941 1.353 . . . . 0.0 114.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.83 107.38 16.41 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 126.471 1.908 . . . . 0.0 107.352 167.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.37 -169.58 2.5 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 125.005 1.288 . . . . 0.0 111.919 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.72 -43.61 60.05 Favored Glycine 0 CA--C 1.528 0.87 0 O-C-N 122.077 -0.66 . . . . 0.0 112.125 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -176.72 44.9 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.482 1.513 . . . . 0.0 108.997 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -138.19 -63.04 0.57 Allowed 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.51 0.724 . . . . 0.0 109.177 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.61 -107.39 2.19 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 171.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.71 -18.5 65.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 117.058 -1.448 . . . . 0.0 112.16 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.45 -44.11 62.28 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 110.626 -169.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.6 -38.37 45.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.576 1.55 . . . . 0.0 113.292 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.61 -43.78 93.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.735 1.214 . . . . 0.0 110.939 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -66.02 -26.31 67.47 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.196 -0.94 . . . . 0.0 110.668 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.7 mt -93.66 8.93 38.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.677 1.991 . . . . 0.0 111.687 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -112.12 -19.69 12.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.137 1.375 . . . . 0.0 111.786 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -53.87 39.64 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -82.37 151.62 26.58 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.539 1.135 . . . . 0.0 109.817 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -119.63 -176.91 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 125.803 1.641 . . . . 0.0 108.376 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -37.05 0.66 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.595 1.558 . . . . 0.0 114.676 -174.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -25.22 -63.63 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.276 2.63 . . . . 0.0 112.149 164.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -120.22 -17.79 8.19 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.568 1.076 . . . . 0.0 111.504 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.83 -20.71 62.21 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.688 -1.258 . . . . 0.0 111.48 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -55.62 5.76 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 117.039 -1.457 . . . . 0.0 111.564 164.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -52.94 -48.04 67.62 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.144 0.884 . . . . 0.0 109.463 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.405 ' CE2' ' HB ' ' A' ' 131' ' ' THR . 52.7 t80 -51.37 -60.54 3.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.134 0.425 . . . . 0.0 112.146 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.49 -26.15 65.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.853 0.751 . . . . 0.0 112.372 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -54.96 4.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.728 1.211 . . . . 0.0 110.047 -177.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.99 -28.56 62.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.37 0.668 . . . . 0.0 109.326 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.35 -53.35 19.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.78 95.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.772 0.429 . . . . 0.0 110.626 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.09 -37.11 83.81 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.864 0.302 . . . . 0.0 110.589 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 130' ' ' HIS . 15.3 tppt? -68.92 -46.0 69.42 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.952 1.301 . . . . 0.0 109.894 175.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.99 91.67 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.704 0.802 . . . . 0.0 113.113 -176.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . 0.277 0.1 OUTLIER 30.95 -158.64 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.169 2.987 . . . . 0.0 114.318 -160.542 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -51.93 164.68 0.25 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.78 2.432 . . . . 0.0 112.548 169.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.32 -15.53 60.95 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.286 -0.884 . . . . 0.0 112.972 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 t -144.41 169.22 18.35 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.332 1.853 . . . . 0.0 106.892 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.2 t -44.6 -72.08 0.07 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.555 1.942 . . . . 0.0 111.696 -170.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.3 m 46.82 -158.37 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.145 1.378 . . . . 0.0 111.409 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -166.27 11.0 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 O-C-N 120.216 -1.553 . . . . 0.0 114.423 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.93 163.0 28.48 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 118.491 1.145 . . . . 0.0 109.879 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -77.99 142.22 64.26 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -168.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.43 166.46 29.74 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 123.308 2.672 . . . . 0.0 110.852 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.3 166.21 31.65 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.759 0.823 . . . . 0.0 111.007 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -140.06 149.66 59.31 Favored Pre-proline 0 N--CA 1.443 -0.812 0 C-N-CA 124.456 1.102 . . . . 0.0 110.266 170.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -80.27 -166.38 0.41 Allowed 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 125.291 3.994 . . . . 0.0 111.476 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -110.5 65.84 0.62 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.222 1.809 . . . . 0.0 109.237 -176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -146.5 116.56 7.34 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.691 1.196 . . . . 0.0 108.847 -168.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -145.29 17.98 1.54 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -175.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.7 m -116.74 139.35 50.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.068 -1.645 . . . . 0.0 110.899 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -44.71 -54.24 6.77 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 126.829 2.157 . . . . 0.0 113.942 -166.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.4 ptm -65.16 -27.69 68.89 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.684 0.742 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.9 -28.4 22.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.437 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.7 t -68.05 -36.53 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 120.342 1.428 . . . . 0.0 107.203 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.91 40.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 112.719 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -61.79 -24.89 67.14 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.394 -0.816 . . . . 0.0 112.335 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -77.81 -37.47 48.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.852 1.261 . . . . 0.0 110.662 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.12 -39.94 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 119.942 -1.724 . . . . 0.0 111.049 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.27 -26.37 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 121.891 -0.505 . . . . 0.0 110.221 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.94 68.82 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.303 -0.873 . . . . 0.0 110.309 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.1 -46.56 90.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.634 0.774 . . . . 0.0 110.764 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -123.45 -64.0 1.19 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.06 173.15 14.31 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 -160.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -50.59 15.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.325 1.85 . . . . 0.0 111.436 -167.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.25 -72.24 0.08 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.483 1.113 . . . . 0.0 111.344 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -71.53 -22.43 61.77 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.122 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.71 -17.5 63.07 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.106 1.321 . . . . 0.0 111.025 172.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -111.76 -50.6 2.91 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 119.428 1.013 . . . . 0.0 112.669 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -50.68 -47.68 58.77 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.752 1.615 . . . . 0.0 111.903 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 tt -70.7 -33.91 71.38 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.53 -46.19 76.97 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 118.696 -0.669 . . . . 0.0 111.015 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -48.27 70.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 124.614 1.166 . . . . 0.0 110.334 175.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.416 ' NE2' ' HE3' ' A' ' 89' ' ' LYS . 36.0 t60 -53.32 -51.73 61.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.846 0.748 . . . . 0.0 110.543 171.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.405 ' HB ' ' CE2' ' A' ' 82' ' ' PHE . 28.8 m -65.28 -26.46 68.09 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.537 -0.727 . . . . 0.0 110.932 -169.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -66.65 -33.63 76.08 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.098 -1.001 . . . . 0.0 111.246 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -19.06 65.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 124.353 1.061 . . . . 0.0 111.32 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.22 -17.69 51.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.692 1.197 . . . . 0.0 111.597 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 31.9 mtp -111.66 -11.08 14.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.396 1.079 . . . . 0.0 112.163 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.85 28.04 57.5 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.653 -1.082 . . . . 0.0 113.208 176.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.07 81.68 5.59 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.255 2.027 . . . . 0.0 109.898 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -54.44 -45.27 73.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 117.531 -1.223 . . . . 0.0 112.587 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.6 p -62.53 -27.89 69.47 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.965 1.257 . . . . 0.0 111.79 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 37.5 mt -68.56 -55.35 11.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.732 0.696 . . . . 0.0 109.348 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.74 -44.74 81.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.172 0.442 . . . . 0.0 111.606 176.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.5 -61.0 2.74 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.1 1.36 . . . . 0.0 109.32 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -56.07 -38.19 70.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 120.091 1.314 . . . . 0.0 111.155 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.98 5.93 0.59 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.527 1.131 . . . . 0.0 114.026 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -138.67 -16.61 1.14 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.477 1.911 . . . . 0.0 112.243 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -82.99 78.15 9.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 127.917 2.487 . . . . 0.0 107.463 -169.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.0 7.86 83.15 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 113.374 -1.739 . . . . 0.0 113.568 163.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -135.65 -96.68 0.24 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 165.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 68.24 -87.66 0.19 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 125.821 1.677 . . . . 0.0 113.395 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -145.49 -68.35 0.29 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 126.737 2.015 . . . . 0.0 111.361 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 ptp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.96 170.88 15.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.579 1.552 . . . . 0.0 108.086 165.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -119.83 112.97 2.35 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 104.862 -3.295 . . . . 0.0 104.862 170.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.82 92.67 0.29 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 108.07 -2.012 . . . . 0.0 108.07 -171.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 55.65 35.03 24.45 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.929 1.017 . . . . 0.0 111.723 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -139.08 167.77 21.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 167.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.78 -94.92 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -59.98 -22.15 62.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.716 0.807 . . . . 0.0 112.162 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -43.74 -49.63 7.9 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 125.496 1.518 . . . . 0.0 110.361 172.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.81 -28.97 67.91 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 117.357 -1.306 . . . . 0.0 111.485 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.3 t -58.88 -57.06 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 121.364 1.893 . . . . 0.0 109.989 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -60.92 -15.79 34.97 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.25 1.02 . . . . 0.0 111.983 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.94 1.57 22.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.503 2.321 . . . . 0.0 111.613 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -107.6 -17.56 14.07 Favored 'General case' 0 C--O 1.23 0.079 0 C-N-CA 126.058 1.743 . . . . 0.0 110.391 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -32.44 69.29 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.474 1.034 . . . . 0.0 111.567 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.74 160.39 14.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.588 1.555 . . . . 0.0 111.244 -175.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -124.14 -170.6 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -30.63 39.67 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.864 -166.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -27.2 -54.39 0.08 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.941 2.496 . . . . 0.0 111.499 167.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -123.46 -31.17 3.55 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.267 1.427 . . . . 0.0 109.853 -175.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.91 -36.54 77.21 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 119.67 -1.894 . . . . 0.0 112.376 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -64.01 -47.17 81.33 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.011 175.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.71 -48.38 81.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.601 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -47.23 -60.61 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.411 1.084 . . . . 0.0 110.659 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.76 -20.57 65.24 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -51.73 4.95 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.362 1.065 . . . . 0.0 111.071 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.45 -27.62 62.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.215 1.406 . . . . 0.0 109.376 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.22 -55.08 15.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.264 1.426 . . . . 0.0 109.943 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.01 64.25 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.016 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -79.61 -42.66 24.46 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.336 1.054 . . . . 0.0 110.685 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -48.67 67.59 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 125.185 1.394 . . . . 0.0 110.194 175.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.22 -66.75 0.4 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.654 0.781 . . . . 0.0 109.058 167.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.82 165.05 0.13 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.678 1.991 . . . . 0.0 110.597 -159.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 t -161.86 -57.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 166.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.83 127.28 0.0 OUTLIER 'General case' 0 C--N 1.339 0.128 0 C-N-CA 127.312 2.245 . . . . 0.0 110.51 -154.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -108.31 -58.01 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 161.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.8 p -152.12 -179.68 7.72 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.451 1.9 . . . . 0.0 108.135 169.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.2 m 58.39 -176.58 0.08 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.675 1.19 . . . . 0.0 112.804 -175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.42 -90.41 1.21 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 106.477 -2.649 . . . . 0.0 106.477 154.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.07 161.38 30.23 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.701 0.762 . . . . 0.0 112.717 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.7 p -64.54 150.92 92.91 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.147 0.979 . . . . 0.0 111.89 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -75.76 171.25 18.55 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.647 2.232 . . . . 0.0 109.817 170.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.52 -164.9 0.12 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 122.441 1.115 . . . . 0.0 111.754 171.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -100.42 143.73 27.09 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 114.309 -1.314 . . . . 0.0 108.775 166.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.04 178.55 4.02 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.675 3.583 . . . . 0.0 111.034 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -107.75 14.98 25.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 148.42 31.68 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.03 -174.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.284 0.7 OUTLIER -144.3 -53.34 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 160.636 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -129.88 154.92 46.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.84 0.712 . . . . 0.0 109.297 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.52 88.29 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.563 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.4 ptp -60.42 -36.44 78.18 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.908 1.354 . . . . 0.0 112.33 175.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.85 -39.25 18.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.328 1.051 . . . . 0.0 109.949 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -28.15 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 167.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.52 67.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.95 0.795 . . . . 0.0 111.801 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -42.34 69.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.849 0.86 . . . . 0.0 110.832 174.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -38.25 87.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -89.41 -35.21 16.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.802 -0.618 . . . . 0.0 112.404 -170.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.81 -26.36 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.187 0.903 . . . . 0.0 109.214 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.56 74.01 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.285 0.948 . . . . 0.0 111.471 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -60.66 -48.26 82.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.671 0.788 . . . . 0.0 111.442 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -113.36 -73.28 0.67 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.988 0.915 . . . . 0.0 110.777 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.89 7.85 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 106.559 -2.617 . . . . 0.0 106.559 -160.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -16.02 59.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.689 1.744 . . . . 0.0 113.952 -165.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -54.99 -83.84 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.566 1.546 . . . . 0.0 109.066 166.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -22.55 60.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 121.458 -0.777 . . . . 0.0 111.872 -173.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -18.44 65.32 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.518 1.054 . . . . 0.0 111.152 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -106.19 -59.09 1.83 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 116.978 -1.486 . . . . 0.0 110.288 171.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -44.53 -45.3 9.25 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.098 1.772 . . . . 0.0 113.81 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.15 -35.68 59.1 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.047 1.403 . . . . 0.0 109.466 -173.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.18 -26.47 56.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.722 2.009 . . . . 0.0 112.214 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.44 -62.37 1.91 Allowed 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -46.5 -41.94 14.87 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 124.208 0.943 . . . . 0.0 111.069 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.5 m -56.65 -14.38 3.2 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.714 1.206 . . . . 0.0 113.457 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.401 ' CD1' ' C ' ' A' ' 132' ' ' TRP . 0.5 OUTLIER -52.25 -35.0 48.65 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.806 1.185 . . . . 0.0 111.297 170.216 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -31.87 73.15 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 126.013 1.725 . . . . 0.0 110.095 -170.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -78.95 -32.9 45.65 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.382 1.073 . . . . 0.0 111.544 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 83.4 mtp -85.88 -32.78 21.48 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.759 -1.213 . . . . 0.0 112.902 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.63 -21.67 36.07 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.86 1.695 . . . . 0.0 113.523 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.575 0.0 OUTLIER -79.13 63.75 3.86 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.188 1.494 . . . . 0.0 114.534 -178.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.14 -58.44 7.65 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.528 -1.225 . . . . 0.0 112.017 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -41.33 62.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.61 1.164 . . . . 0.0 111.159 -170.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.24 -61.84 0.95 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 128.284 2.634 . . . . 0.0 111.801 174.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 95.2 m -91.23 -39.06 12.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 112.375 -2.193 . . . . 0.0 107.397 -163.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.77 -55.29 6.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.008 0.923 . . . . 0.0 108.802 167.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -54.83 -19.85 7.4 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.22 -12.83 61.1 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.581 -1.324 . . . . 0.0 113.447 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -167.0 53.14 0.08 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.101 2.161 . . . . 0.0 111.482 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -151.98 99.24 2.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.134 2.173 . . . . 0.0 109.132 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.7 -27.54 1.89 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.194 0.902 . . . . 0.0 113.911 163.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.42 -142.09 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 127.451 2.3 . . . . 0.0 107.851 162.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -73.86 165.08 54.83 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 173.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . 0.264 0.6 OUTLIER 64.91 179.61 0.18 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 128.048 2.539 . . . . 0.0 111.81 -164.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 46.3 p . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 122.955 0.502 . . . . 0.0 110.253 -173.739 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.465 0.295 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.02 123.01 25.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.902 1.281 . . . . 0.0 109.731 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.12 -39.47 0.05 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 107.975 -2.05 . . . . 0.0 107.975 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.07 -63.22 0.16 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 107.544 -2.222 . . . . 0.0 107.544 160.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.38 31.62 0.47 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.362 1.065 . . . . 0.0 112.063 -171.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -131.23 -165.43 1.56 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.928 1.291 . . . . 0.0 108.022 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.87 -94.13 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 174.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -47.56 -30.21 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 127.104 2.162 . . . . 0.0 114.596 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.76 -28.48 56.2 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.838 0.855 . . . . 0.0 111.57 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.97 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.568 -0.73 . . . . 0.0 111.001 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 91.7 m -60.6 -38.05 83.4 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.687 0.676 . . . . 0.0 110.569 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.16 -48.07 77.43 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -78.74 15.49 1.04 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.955 1.302 . . . . 0.0 113.399 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.32 -15.78 9.7 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.877 1.271 . . . . 0.0 110.914 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CE1' HD22 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -60.4 -50.25 74.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.986 -1.071 . . . . 0.0 108.803 174.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.96 166.06 20.18 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 127.988 2.515 . . . . 0.0 109.945 170.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -132.54 -163.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 126.309 1.843 . . . . 0.0 106.17 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -62.56 -2.34 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.59 -48.05 39.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.488 1.04 . . . . 0.0 110.567 157.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.68 -16.32 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.766 1.166 . . . . 0.0 112.155 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.6 tp -49.17 -43.51 42.07 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.665 1.575 . . . . 0.0 110.734 169.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -61.8 -54.57 40.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.998 1.319 . . . . 0.0 108.66 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.41 -48.81 71.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.918 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.75 -48.39 81.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.28 0.945 . . . . 0.0 110.386 -177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.9 -37.51 79.6 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.023 -1.048 . . . . 0.0 111.348 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -83.68 -47.06 11.61 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.857 0.863 . . . . 0.0 112.508 -172.129 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.56 -26.54 68.63 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 116.636 -1.65 . . . . 0.0 108.116 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.3 tt -72.67 -50.78 22.71 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.21 1.368 . . . . 0.0 108.051 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.33 64.02 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.564 0.62 . . . . 0.0 110.958 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -71.43 -46.75 59.3 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.53 -0.731 . . . . 0.0 111.133 172.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -52.31 20.91 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.386 1.474 . . . . 0.0 110.308 176.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 40.7 -151.81 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.949 2.9 . . . . 0.0 111.472 -175.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -145.79 15.02 1.38 Allowed 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.214 -0.929 . . . . 0.0 112.523 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.0 t -145.22 177.47 8.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 119.325 0.966 . . . . 0.0 110.025 -173.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.37 96.96 0.38 Allowed 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 164.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.11 167.85 16.84 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.28 -177.64 4.71 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 125.993 1.717 . . . . 0.0 110.572 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.33 159.12 2.82 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.586 -0.696 . . . . 0.0 110.54 164.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.33 -47.54 22.28 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.38 -0.678 . . . . 0.0 111.968 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.262 9.3 pt-20 43.52 93.59 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.469 3.108 . . . . 0.0 115.468 167.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.284 0.4 OUTLIER 56.96 175.73 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 125.524 1.529 . . . . 0.0 110.96 -174.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.93 152.55 16.77 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 CA-C-N 120.717 1.292 . . . . 0.0 109.26 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.76 74.22 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -124.17 155.09 68.45 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 124.228 1.011 . . . . 0.0 111.191 -172.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -90.22 170.63 3.95 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 124.249 3.299 . . . . 0.0 113.053 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.86 65.1 4.1 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.869 1.668 . . . . 0.0 109.142 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -136.57 124.41 22.62 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.666 1.187 . . . . 0.0 108.992 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 t -147.26 29.08 0.97 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.007 0.432 . . . . 0.0 111.858 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -116.82 139.26 50.8 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 161.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.63 -46.1 38.29 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 119.082 0.856 . . . . 0.0 111.926 172.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.21 -38.35 79.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.04 0.92 . . . . 0.0 112.965 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -87.34 -27.1 23.03 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.388 -0.82 . . . . 0.0 110.938 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.06 -45.19 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 163.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.47 -47.72 81.12 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.976 1.262 . . . . 0.0 112.062 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -36.12 71.33 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.071 0.548 . . . . 0.0 112.04 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.58 73.1 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 123.821 0.849 . . . . 0.0 108.796 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 tp -72.01 -39.31 69.3 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.918 -169.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.11 -43.24 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.167 0.894 . . . . 0.0 109.692 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.83 81.71 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.298 0.953 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -67.15 -60.23 2.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.323 1.449 . . . . 0.0 111.245 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -112.47 -13.57 13.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -159.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.02 157.12 4.79 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.615 1.102 . . . . 0.0 110.929 -169.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -15.01 16.02 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.573 1.949 . . . . 0.0 115.094 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -65.49 -83.47 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.293 1.037 . . . . 0.0 108.405 165.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -65.69 -22.88 66.66 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.412 -0.805 . . . . 0.0 111.648 -172.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.75 -5.82 6.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.221 0.919 . . . . 0.0 113.249 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.66 -47.93 2.3 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.074 0.852 . . . . 0.0 109.904 154.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -34.81 40.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -171.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.35 -39.29 12.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.938 1.695 . . . . 0.0 109.881 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -40.79 63.23 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.705 -0.622 . . . . 0.0 111.411 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -47.29 85.8 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.975 174.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 15.3 t60 -51.7 -43.78 62.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.888 1.676 . . . . 0.0 110.603 174.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.7 m -62.62 -22.2 66.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.87 0.868 . . . . 0.0 111.704 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.472 ' CD2' ' HB2' ' A' ' 141' ' ' CYS . 0.0 OUTLIER -58.19 -45.12 88.13 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 176.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.79 72.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.204 1.002 . . . . 0.0 109.78 -166.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.01 -48.26 80.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.732 2.013 . . . . 0.0 110.734 174.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 9.7 mtm -83.18 -31.09 27.3 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.428 1.013 . . . . 0.0 112.443 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.83 18.09 52.18 Favored Glycine 0 CA--C 1.532 1.149 0 O-C-N 121.39 -0.819 . . . . 0.0 114.587 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.87 81.44 6.13 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.202 1.501 . . . . 0.0 109.772 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -45.62 -49.53 14.15 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.411 1.084 . . . . 0.0 112.147 -174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.3 m -59.55 -25.05 64.22 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.5 HD22 ' CE1' ' A' ' 73' ' ' PHE . 3.0 mm? -72.38 -47.27 50.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 119.927 1.239 . . . . 0.0 109.226 -176.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 132' ' ' TRP . 22.5 t -69.25 -41.23 77.2 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.074 0.549 . . . . 0.0 111.168 175.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.08 -61.87 2.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.694 0.797 . . . . 0.0 109.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -60.29 -23.56 64.26 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 119.864 1.211 . . . . 0.0 112.663 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.32 -10.07 57.92 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.711 1.596 . . . . 0.0 112.088 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -145.21 20.61 1.57 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.116 1.366 . . . . 0.0 110.986 -167.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -143.28 84.86 1.83 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 127.317 2.247 . . . . 0.0 106.44 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.15 -37.28 1.52 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.274 0.94 . . . . 0.0 113.769 178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 56.93 32.31 21.31 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 127.191 2.196 . . . . 0.0 114.658 174.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 103.62 -166.35 15.9 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -162.21 100.11 1.08 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 163.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.534 0.338 0 C-N-CA 128.715 2.806 . . . . 0.0 113.121 -170.904 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.491 ' HE1' ' H ' ' A' ' 59' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.372 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 81.69 104.23 0.06 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 127.363 2.265 . . . . 0.0 110.207 -171.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 157.99 -81.3 0.16 Allowed Glycine 0 N--CA 1.439 -1.116 0 N-CA-C 107.124 -2.391 . . . . 0.0 107.124 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.68 -56.01 4.73 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 124.029 0.823 . . . . 0.0 111.391 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.95 86.39 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 128.171 2.588 . . . . 0.0 114.22 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -79.01 -59.69 2.68 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 117.701 -1.599 . . . . 0.0 107.19 -160.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.0 -103.14 0.25 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -75.77 -12.68 60.23 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.832 1.253 . . . . 0.0 113.715 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.6 tp -45.45 -48.7 13.82 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.074 1.75 . . . . 0.0 111.106 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.45 54.23 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.538 1.063 . . . . 0.0 113.269 -177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -38.3 73.79 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.413 1.006 . . . . 0.0 110.032 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -68.36 -8.74 42.73 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.059 0.944 . . . . 0.0 111.869 171.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.9 mt -120.85 9.39 10.66 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 119.924 1.238 . . . . 0.0 112.067 -173.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -7.87 10.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.503 1.047 . . . . 0.0 113.104 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CE2' ' HG ' ' A' ' 74' ' ' LEU . 17.4 p90 -61.08 -24.07 65.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.949 0.5 . . . . 0.0 111.48 171.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' HG ' ' CE2' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -113.26 167.99 10.1 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 128.958 2.903 . . . . 0.0 109.796 176.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -130.32 179.5 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.346 1.858 . . . . 0.0 107.238 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -38.47 0.99 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.269 1.428 . . . . 0.0 114.37 -169.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -25.73 -68.79 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.068 2.547 . . . . 0.0 112.311 164.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -106.85 -26.62 11.16 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.899 1.68 . . . . 0.0 109.017 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.9 -37.82 83.54 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.606 1.548 . . . . 0.0 112.181 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.48 -34.63 25.32 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.559 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.25 -46.48 72.63 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.958 1.253 . . . . 0.0 109.166 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -69.1 -15.56 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 119.934 -1.729 . . . . 0.0 114.149 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -84.86 -48.58 9.2 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.961 1.71 . . . . 0.0 109.353 162.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -43.69 81.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.439 -0.788 . . . . 0.0 111.462 -166.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.82 -21.37 62.47 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.577 1.551 . . . . 0.0 109.552 176.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.07 31.36 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 171.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.78 -16.45 63.81 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.281 0.632 . . . . 0.0 112.395 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -75.4 -46.65 31.58 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.252 1.021 . . . . 0.0 109.914 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -66.18 -36.57 83.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.138 -0.976 . . . . 0.0 109.809 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.82 147.54 14.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.338 1.055 . . . . 0.0 109.594 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.98 144.13 43.18 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.53 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 p -157.34 160.33 38.38 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 120.735 -1.228 . . . . 0.0 109.724 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -136.87 152.51 50.32 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 162.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -171.84 -177.4 1.95 Allowed 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.145 2.178 . . . . 0.0 106.889 -174.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -42.08 -71.94 0.07 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.331 1.852 . . . . 0.0 111.923 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 m -71.65 -13.68 61.82 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.09 -66.47 0.5 Allowed Glycine 0 C--O 1.225 -0.459 0 N-CA-C 107.515 -2.234 . . . . 0.0 107.515 -172.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -109.53 152.89 24.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.74 1.216 . . . . 0.0 108.889 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.1 p -92.72 152.31 41.71 Favored Pre-proline 0 N--CA 1.445 -0.705 0 C-N-CA 122.826 0.45 . . . . 0.0 110.015 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.67 154.83 72.11 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.268 1.978 . . . . 0.0 110.044 166.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.0 148.52 3.46 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 127.758 2.423 . . . . 0.0 106.481 158.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -97.05 147.26 32.66 Favored Pre-proline 0 CA--C 1.537 0.447 0 C-N-CA 123.395 0.678 . . . . 0.0 109.35 172.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -79.88 136.32 11.82 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.552 2.834 . . . . 0.0 110.805 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -144.84 39.83 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.842 1.657 . . . . 0.0 110.114 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -132.9 115.66 15.52 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.547 0.739 . . . . 0.0 109.201 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.1 t -138.54 -2.82 1.74 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.452 1.501 . . . . 0.0 111.559 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.13 151.57 45.57 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 120.387 -1.446 . . . . 0.0 111.859 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.65 -42.46 97.27 Favored Glycine 0 C--O 1.226 -0.382 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 ptp -58.29 -21.16 47.92 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.35 -27.47 9.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.037 1.335 . . . . 0.0 110.879 -172.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.51 -39.14 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 162.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.05 -57.97 9.55 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.242 1.017 . . . . 0.0 112.279 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.8 p -64.54 -20.81 66.45 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -46.19 42.61 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.871 1.268 . . . . 0.0 109.221 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.38 -43.25 81.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.347 -0.846 . . . . 0.0 110.855 -171.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.6 t -66.35 -12.49 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.825 0.85 . . . . 0.0 110.815 174.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -103.45 -2.4 26.95 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.246 1.418 . . . . 0.0 112.503 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -107.63 -34.04 7.12 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.201 1.4 . . . . 0.0 110.337 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -123.83 -26.22 4.14 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.02 177.14 7.22 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-O 123.011 1.34 . . . . 0.0 110.124 -153.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.91 -19.82 65.38 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -161.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -61.08 -78.5 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.223 1.374 . . . . 0.0 110.125 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -65.68 -28.51 69.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.932 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.13 -13.76 40.63 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.453 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -113.83 -50.22 2.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 120.1 1.318 . . . . 0.0 110.997 164.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -48.04 -46.29 33.1 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.787 1.63 . . . . 0.0 112.324 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tt -76.3 -36.3 58.41 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.64 -1.287 . . . . 0.0 108.719 -177.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.21 99.38 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.261 -0.899 . . . . 0.0 110.433 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.9 -51.74 67.91 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.553 1.541 . . . . 0.0 108.696 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -54.94 -41.91 71.63 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.317 0.962 . . . . 0.0 112.003 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.2 m -62.84 -22.5 66.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.593 1.088 . . . . 0.0 111.06 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.4 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.65 -0.656 . . . . 0.0 110.429 173.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.7 -30.29 67.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.124 0.57 . . . . 0.0 110.323 -167.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -69.24 -63.01 1.15 Allowed 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 127.234 2.214 . . . . 0.0 110.192 167.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.2 mtm -67.52 -23.16 65.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.41 8.19 64.48 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 120.027 1.285 . . . . 0.0 115.288 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.7 82.42 4.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.952 1.876 . . . . 0.0 111.329 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -41.9 96.05 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 120.939 -1.1 . . . . 0.0 111.896 -172.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -47.24 15.36 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.961 1.304 . . . . 0.0 110.616 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.43 -55.88 11.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.585 1.154 . . . . 0.0 109.796 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 10.3 t -60.51 -38.34 84.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.71 -67.73 0.33 Allowed 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 124.2 0.938 . . . . 0.0 108.616 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -59.02 -31.37 68.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.048 0.939 . . . . 0.0 112.282 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.84 -8.22 10.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.059 2.143 . . . . 0.0 114.226 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -134.63 -71.47 0.49 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.361 1.464 . . . . 0.0 107.971 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 28.36 85.87 0.01 OUTLIER 'General case' 0 C--O 1.233 0.221 0 C-N-CA 130.067 3.347 . . . . 0.0 112.102 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 91.77 -4.75 79.22 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.838 1.209 . . . . 0.0 112.407 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.8 97.75 1.14 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.756 1.278 . . . . 0.0 107.66 163.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -124.31 4.69 8.85 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 117.578 -1.679 . . . . 0.0 115.381 -168.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 95.95 116.86 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 130.185 3.394 . . . . 0.0 107.459 -168.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -165.712 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . 0.261 24.3 ptm . . . . . 0 C--O 1.235 0.316 0 CA-C-O 122.991 1.377 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.19 141.66 58.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 120.891 -1.131 . . . . 0.0 109.048 163.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.71 179.7 46.37 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 107.382 -2.287 . . . . 0.0 107.382 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.71 61.53 3.8 Favored Glycine 0 C--O 1.22 -0.722 0 N-CA-C 107.894 -2.082 . . . . 0.0 107.894 171.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 70.31 25.44 4.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.235 1.414 . . . . 0.0 114.442 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.7 p-90 -142.68 175.54 9.73 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.001 1.32 . . . . 0.0 107.601 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.04 -90.78 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -51.74 -34.07 37.55 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.544 1.172 . . . . 0.0 113.379 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.6 pp -52.13 -28.48 18.07 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.61 -15.64 61.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.508 1.049 . . . . 0.0 112.537 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.9 m -76.4 -40.13 51.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.307 0.958 . . . . 0.0 111.054 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -56.93 -35.28 68.87 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 mp -80.66 13.18 2.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.989 2.116 . . . . 0.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -138.14 -4.17 1.73 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.064 2.146 . . . . 0.0 110.399 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -45.94 85.73 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.371 -1.456 . . . . 0.0 108.182 164.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.16 164.38 12.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.328 2.251 . . . . 0.0 109.462 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -125.72 -170.99 2.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.23 1.812 . . . . 0.0 107.278 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -60.29 -12.05 8.02 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -38.15 -72.91 0.05 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.978 1.711 . . . . 0.0 110.532 156.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -112.82 -17.98 12.39 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.969 1.258 . . . . 0.0 109.914 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.0 tp -55.88 -44.02 77.74 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 120.42 1.464 . . . . 0.0 110.937 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -47.87 68.8 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.515 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.39 -55.03 20.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 120.644 1.566 . . . . 0.0 110.003 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CD2' ' CZ3' ' A' ' 132' ' ' TRP . 31.0 t80 -45.5 -58.3 3.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.433 0.693 . . . . 0.0 110.682 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.25 -26.67 62.1 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.111 -0.993 . . . . 0.0 111.761 -172.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.74 -59.32 4.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.493 1.517 . . . . 0.0 108.445 173.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.64 -43.15 84.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.261 1.824 . . . . 0.0 110.681 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -43.62 88.69 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.152 0.887 . . . . 0.0 110.024 178.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.44 67.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 120.951 -1.093 . . . . 0.0 110.818 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -53.94 -52.23 61.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.373 1.469 . . . . 0.0 108.949 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -56.31 -47.67 78.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.033 1.733 . . . . 0.0 110.823 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.56 -18.79 64.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -175.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 91' ' ' HIS 0.266 0.0 OUTLIER 31.22 103.57 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 131.462 3.905 . . . . 0.0 116.255 -172.164 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.0 t -150.75 -177.05 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 119.035 -2.291 . . . . 0.0 108.814 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -135.69 94.87 3.14 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.868 1.267 . . . . 0.0 109.699 -175.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.9 t -162.61 94.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p 176.78 -176.62 0.14 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.629 2.372 . . . . 0.0 108.344 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -58.02 163.37 2.81 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.402 -0.811 . . . . 0.0 108.817 149.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.46 -43.04 88.23 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 172.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.57 94.26 2.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.536 0.734 . . . . 0.0 111.515 -174.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.292 0.6 OUTLIER 55.3 167.41 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 125.676 1.59 . . . . 0.0 111.85 -176.671 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -84.28 152.41 12.27 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 O-C-N 119.097 -1.054 . . . . 0.0 111.578 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.91 144.24 14.69 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 127.871 2.468 . . . . 0.0 107.327 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -139.18 153.23 71.1 Favored Pre-proline 0 C--O 1.235 0.322 0 C-N-CA 125.766 1.626 . . . . 0.0 108.16 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.93 137.92 50.75 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.162 1.908 . . . . 0.0 109.598 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 52.61 67.48 0.98 Allowed 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 128.587 2.755 . . . . 0.0 113.315 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 83.52 2.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 124.171 1.938 . . . . 0.0 110.445 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.49 7.41 0.58 Allowed 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.484 -163.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.2 m -130.76 161.94 30.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 163.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.17 -44.77 96.63 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 168.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 ptp -62.3 -23.58 66.81 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.532 1.933 . . . . 0.0 113.011 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -77.34 -51.74 10.35 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.424 1.011 . . . . 0.0 109.605 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.41 -35.68 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.99 -62.02 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.505 1.122 . . . . 0.0 113.413 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -30.69 68.86 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.019 0.437 . . . . 0.0 111.352 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -36.33 68.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.078 0.466 . . . . 0.0 110.534 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.6 mt -70.04 -43.21 71.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.186 -0.946 . . . . 0.0 110.105 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 21.3 t -60.98 -43.47 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.34 83.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.731 1.15 . . . . 0.0 111.887 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -72.07 -43.58 64.65 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.061 0.945 . . . . 0.0 113.027 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -126.95 -44.23 1.64 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.149 -0.929 . . . . 0.0 113.327 -169.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 126.45 -117.47 2.82 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.385 1.469 . . . . 0.0 113.811 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -120.38 -20.98 7.04 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.71 -2.053 . . . . 0.0 113.566 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -79.36 -89.6 0.05 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 170.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -65.08 -8.0 14.62 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.06 70.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 116.874 -1.536 . . . . 0.0 111.188 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 67' ' ' LEU . 38.3 t-105 -103.23 -45.58 4.86 Favored 'General case' 0 C--O 1.207 -1.179 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -176.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.94 -37.46 69.01 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 119.652 -1.905 . . . . 0.0 113.246 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 tt -76.61 -36.97 57.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.48 -61.9 1.91 Allowed 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 125.255 1.422 . . . . 0.0 109.19 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -24.95 45.49 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.018 1.327 . . . . 0.0 111.581 -160.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -50.93 -38.53 50.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.555 0.742 . . . . 0.0 110.41 163.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.7 m -61.26 -20.87 63.35 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.321 -1.487 . . . . 0.0 112.004 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.436 ' CZ3' ' CD2' ' A' ' 82' ' ' PHE . 7.4 m95 -66.77 -33.29 75.29 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.137 -0.977 . . . . 0.0 111.289 174.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -44.44 96.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.979 0.912 . . . . 0.0 108.719 172.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.76 -42.54 60.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 116.347 -1.787 . . . . 0.0 114.174 -177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.3 mtm -60.48 -61.44 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 121.442 1.928 . . . . 0.0 109.484 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 149.27 5.77 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.127 -0.818 . . . . 0.0 114.082 -174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.611 0.0 OUTLIER -124.69 56.78 1.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.773 2.029 . . . . 0.0 115.498 -170.199 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -11.42 4.67 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.9 t -47.19 -46.51 23.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.398 1.453 . . . . 0.0 109.855 164.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.417 HD11 ' CE3' ' A' ' 132' ' ' TRP . 54.8 mt -66.87 -41.19 87.71 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.278 1.031 . . . . 0.0 110.158 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 13.6 t -58.08 -49.51 76.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.228 1.011 . . . . 0.0 110.144 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.63 -55.74 27.39 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.137 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.68 -12.2 32.18 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.951 1.251 . . . . 0.0 113.264 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.32 -2.04 56.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.331 1.423 . . . . 0.0 113.049 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -137.07 11.7 3.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.439 1.496 . . . . 0.0 110.485 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -108.61 53.51 0.68 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 126.737 2.015 . . . . 0.0 108.045 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 61.98 3.84 5.25 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 128.316 2.865 . . . . 0.0 117.146 159.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -91.13 -165.72 1.42 Allowed 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.557 1.543 . . . . 0.0 110.424 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 156.32 -40.83 0.57 Allowed Glycine 0 CA--C 1.527 0.785 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.557 -158.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 40.02 43.61 1.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.344 1.858 . . . . 0.0 113.737 163.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.449 -0.521 0 O-C-N 121.16 -0.963 . . . . 0.0 108.871 178.296 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 26.0 mmm . . . . . 0 N--CA 1.44 -0.946 0 CA-C-O 123.865 1.793 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.52 137.64 50.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.382 -1.736 . . . . 0.0 107.524 167.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 168.08 -41.16 0.23 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 157.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.75 89.44 1.18 Allowed Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 104.8 -3.32 . . . . 0.0 104.8 -159.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 48.09 73.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 126.322 1.849 . . . . 0.0 112.124 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -110.05 173.69 6.21 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.155 -1.384 . . . . 0.0 108.502 -175.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.13 -77.67 2.05 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 158.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -53.88 -31.66 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.375 1.088 . . . . 0.0 111.404 171.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.72 -62.42 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.298 1.039 . . . . 0.0 108.6 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.15 -20.85 65.77 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.147 -1.406 . . . . 0.0 113.748 -170.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.22 -42.74 52.15 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 121.089 1.768 . . . . 0.0 111.513 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -72.26 -32.59 66.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.95 0.9 . . . . 0.0 109.981 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.62 -6.53 54.5 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.539 1.136 . . . . 0.0 111.575 -173.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -90.6 -28.36 18.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 110.424 -173.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.67 55.46 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -174.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.96 165.0 23.05 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.506 1.522 . . . . 0.0 110.333 -177.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -134.06 -170.86 2.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.84 1.256 . . . . 0.0 108.627 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -6.15 10.4 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.908 -1.12 . . . . 0.0 114.02 -165.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.82 -76.33 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.026 0.93 . . . . 0.0 109.307 154.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -102.95 -24.88 13.63 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 121.124 -0.985 . . . . 0.0 110.763 -161.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -38.02 74.4 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 110.054 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -37.87 20.41 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 116.371 -1.776 . . . . 0.0 110.534 -175.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.76 -57.38 11.74 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -46.47 -57.13 4.98 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.148 0.886 . . . . 0.0 111.641 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -39.92 69.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.551 1.069 . . . . 0.0 112.461 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -54.19 6.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.19 0.996 . . . . 0.0 110.057 -174.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.7 -16.24 37.46 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.944 1.298 . . . . 0.0 111.816 175.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 tt -80.64 -55.59 4.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 119.789 1.177 . . . . 0.0 108.39 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.38 -23.87 64.66 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.809 0.444 . . . . 0.0 111.511 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -52.53 -48.11 66.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.33 1.452 . . . . 0.0 110.489 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.345 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 34.88 -161.73 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.428 1.491 . . . . 0.0 112.224 -149.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -145.17 -65.72 0.33 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.4 m -128.47 114.87 17.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.92 15.35 2.29 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.232 0.613 . . . . 0.0 111.49 -164.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t 68.23 -175.83 0.2 Allowed 'General case' 0 C--O 1.242 0.666 0 C-N-CA 123.523 0.729 . . . . 0.0 109.338 -136.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 m -132.59 86.36 2.31 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 125.459 1.503 . . . . 0.0 107.877 -163.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.2 m -161.62 -174.24 4.14 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 126.217 1.807 . . . . 0.0 108.695 -171.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.74 -106.21 1.33 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 144.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.65 171.63 19.75 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 128.433 2.693 . . . . 0.0 108.304 170.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.46 160.1 20.18 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 123.538 0.735 . . . . 0.0 110.505 163.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -77.87 173.05 14.62 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 124.031 3.154 . . . . 0.0 111.43 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 61.1 171.05 0.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.148 2.179 . . . . 0.0 112.98 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -122.96 140.62 33.77 Favored Pre-proline 0 CA--C 1.54 0.594 0 O-C-N 121.507 -0.746 . . . . 0.0 110.294 -148.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 105' ' ' LYS . 92.2 Cg_endo -82.4 166.3 16.03 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 124.011 3.14 . . . . 0.0 113.578 -162.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.9 24.3 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.831 2.453 . . . . 0.0 113.153 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 103' ' ' PRO . 13.2 mptt -119.8 97.66 5.73 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 173.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.5 t -135.66 2.25 2.9 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.668 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.7 m -99.99 153.57 19.09 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.471 1.032 . . . . 0.0 110.45 164.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.85 -28.5 70.29 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.449 -0.782 . . . . 0.0 113.014 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -36.19 82.98 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.826 -0.808 . . . . 0.0 110.293 175.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -82.85 -45.91 13.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.058 0.943 . . . . 0.0 110.89 -172.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 24.2 m -60.27 -28.88 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 123.752 0.821 . . . . 0.0 111.385 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.85 -48.59 30.91 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.362 0.665 . . . . 0.0 111.554 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.2 p -62.08 -33.34 74.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.665 0.666 . . . . 0.0 112.176 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -42.11 70.88 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.324 1.05 . . . . 0.0 109.072 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.0 -52.61 16.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.795 1.638 . . . . 0.0 111.108 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.96 -28.06 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 119.419 1.009 . . . . 0.0 109.865 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.47 64.96 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 120.766 -1.209 . . . . 0.0 112.05 171.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -61.59 -39.77 92.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.868 0.867 . . . . 0.0 110.175 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -127.72 -80.35 0.59 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.61 0.764 . . . . 0.0 110.473 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.12 11.53 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -158.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -55.15 -23.46 21.4 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.61 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.286 1.434 . . . . 0.0 110.0 168.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -27.53 62.33 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 120.668 -1.27 . . . . 0.0 112.831 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.84 13.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.772 0.715 . . . . 0.0 111.783 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -118.19 -51.31 2.43 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 119.395 0.998 . . . . 0.0 111.411 169.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -45.86 -45.0 14.81 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.609 1.564 . . . . 0.0 114.066 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -41.04 16.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.469 1.128 . . . . 0.0 108.38 -172.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.83 -41.42 64.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.121 1.368 . . . . 0.0 112.549 168.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.09 -52.91 63.4 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 125.69 1.596 . . . . 0.0 109.983 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.305 0.642 . . . . 0.0 110.468 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.9 m -65.24 -13.58 58.68 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.072 -1.017 . . . . 0.0 111.756 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -72.1 -28.83 63.54 Favored 'General case' 0 C--O 1.225 -0.198 0 O-C-N 120.7 -1.25 . . . . 0.0 111.754 172.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -58.92 -45.18 90.97 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.292 1.437 . . . . 0.0 110.029 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -49.48 -56.95 7.99 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.717 1.607 . . . . 0.0 110.531 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 36.4 mtp -81.01 -13.79 58.52 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.059 0.544 . . . . 0.0 112.324 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.01 69.1 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.149 -1.362 . . . . 0.0 113.102 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.44 77.33 6.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.155 1.977 . . . . 0.0 109.469 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -55.53 -46.83 77.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.588 1.155 . . . . 0.0 109.628 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.4 m -57.87 -40.61 80.62 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 118.188 -0.91 . . . . 0.0 113.182 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.67 -41.69 68.38 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.384 1.447 . . . . 0.0 109.401 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -44.22 97.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 110.488 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.23 -66.31 0.56 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.4 1.88 . . . . 0.0 110.459 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -49.65 -39.67 37.01 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 126.729 2.012 . . . . 0.0 111.407 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.64 42.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.22 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -128.35 5.0 5.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.382 2.273 . . . . 0.0 112.047 -167.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -116.78 13.37 15.07 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.625 -1.297 . . . . 0.0 113.469 -167.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 65.44 54.9 23.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 120.682 -1.261 . . . . 0.0 110.197 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -35.63 -83.21 0.01 OUTLIER 'General case' 0 C--N 1.34 0.184 0 C-N-CA 128.02 2.528 . . . . 0.0 112.508 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 33.88 69.33 0.18 Allowed Glycine 0 C--N 1.337 0.596 0 C-N-CA 127.681 2.562 . . . . 0.0 113.078 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.93 155.59 26.85 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.822 0.449 . . . . 0.0 110.046 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 C--N 1.333 -0.127 0 C-N-CA 126.665 1.986 . . . . 0.0 110.705 -162.738 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 37.0 mtp . . . . . 0 C--O 1.239 0.541 0 CA-C-O 122.279 1.038 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.65 152.62 21.7 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.273 155.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.426 ' HA3' ' CD2' ' A' ' 64' ' ' TRP . . . -133.8 162.8 24.48 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 126.369 1.938 . . . . 0.0 109.197 167.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 91.61 1.0 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 108.606 -1.797 . . . . 0.0 108.606 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.63 24.02 14.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.632 1.173 . . . . 0.0 112.173 -171.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.426 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 69.9 p-90 -137.11 -177.96 4.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 167.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.2 -94.93 0.15 Allowed Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.186 -2.366 . . . . 0.0 107.186 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -57.01 -25.08 57.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.83 -42.74 47.98 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.077 1.351 . . . . 0.0 110.681 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.18 67.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.473 0.709 . . . . 0.0 112.243 -173.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -66.49 -36.81 83.65 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.15 0.98 . . . . 0.0 111.36 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -66.34 -21.38 66.25 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.926 -1.109 . . . . 0.0 110.696 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.8 mt -107.89 32.28 4.86 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.367 1.867 . . . . 0.0 109.193 -175.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.35 -26.82 1.83 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.229 1.411 . . . . 0.0 110.433 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -50.97 58.38 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.424 0.557 . . . . 0.0 109.798 -175.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 161.59 30.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.927 0.891 . . . . 0.0 108.645 169.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -123.25 -176.61 3.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.15 -41.71 0.27 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.419 1.887 . . . . 0.0 114.483 -175.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -41.67 -55.82 2.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 128.719 2.807 . . . . 0.0 110.415 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -113.14 -22.45 10.51 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 123.605 0.762 . . . . 0.0 109.661 -172.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.3 tp -54.75 -39.14 68.01 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 121.134 -0.979 . . . . 0.0 111.115 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -39.57 54.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.034 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 85' ' ' LEU . 34.1 mt-10 -62.07 0.85 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.434 1.094 . . . . 0.0 112.589 164.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -103.77 -74.62 0.64 Allowed 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 121.362 -0.836 . . . . 0.0 110.408 157.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.95 -35.76 47.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.953 1.701 . . . . 0.0 113.178 -169.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.32 -48.44 7.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.75 0.704 . . . . 0.0 109.509 -175.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.519 ' CD1' ' HA ' ' A' ' 81' ' ' GLU . 8.9 mp -56.96 -22.5 38.57 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.785 2.034 . . . . 0.0 111.204 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -44.85 83.94 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.95 67.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.346 -0.846 . . . . 0.0 110.97 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -63.69 -44.35 93.93 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -72.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 169.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.31 -150.94 0.08 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.795 1.638 . . . . 0.0 110.88 -167.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -116.09 133.81 55.62 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 165.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 m 56.29 -173.17 0.07 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.789 1.236 . . . . 0.0 113.687 -171.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.81 124.85 40.62 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 169.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 m -144.43 95.91 2.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 165.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.2 m -68.36 117.17 9.8 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 169.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 65.6 m -150.18 -50.87 0.14 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.298 1.439 . . . . 0.0 110.024 170.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.48 33.67 3.83 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.172 0.891 . . . . 0.0 111.305 -163.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -59.77 164.17 3.91 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 169.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 71.0 162.12 0.15 Allowed Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.308 1.843 . . . . 0.0 111.296 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.07 174.69 12.12 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.522 2.814 . . . . 0.0 110.502 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.37 160.44 13.38 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.978 0.894 . . . . 0.0 110.802 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.9 pm0 -67.23 150.9 97.65 Favored Pre-proline 0 N--CA 1.442 -0.847 0 C-N-CA 125.937 1.695 . . . . 0.0 110.474 -172.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -71.53 145.57 47.59 Favored 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 122.236 1.957 . . . . 0.0 112.184 176.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -78.51 63.86 3.44 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 127.27 2.228 . . . . 0.0 110.176 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -126.43 157.01 39.69 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.724 0.773 . . . . 0.0 110.935 176.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -139.66 0.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.811 2.044 . . . . 0.0 111.999 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -111.85 133.92 53.75 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.421 0.629 . . . . 0.0 109.433 -174.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.81 85.46 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 123.897 0.761 . . . . 0.0 112.78 -167.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -43.16 74.86 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 117.864 0.832 . . . . 0.0 111.4 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.7 -27.23 27.17 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 121.407 -0.808 . . . . 0.0 112.3 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.03 -41.29 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 165.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.32 90.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.137 0.881 . . . . 0.0 112.111 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 p -58.59 -35.77 72.95 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.96 0.8 . . . . 0.0 112.048 174.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -42.36 82.29 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.4 tp -69.79 -43.11 72.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 120.894 -1.129 . . . . 0.0 111.982 -171.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.7 -27.13 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 118.2 0.455 . . . . 0.0 110.149 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.0 -35.02 66.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.282 0.947 . . . . 0.0 111.539 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -69.73 -59.7 2.78 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.234 1.014 . . . . 0.0 109.454 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -108.57 -26.52 10.36 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -162.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.36 166.17 25.88 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -156.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -49.45 -53.14 24.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.697 1.199 . . . . 0.0 112.369 -167.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -50.4 -77.53 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.971 1.308 . . . . 0.0 111.133 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.42 -12.18 61.44 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 116.982 -1.485 . . . . 0.0 112.013 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.84 -65.12 0.73 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.744 1.611 . . . . 0.0 107.322 167.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -76.13 -44.44 38.38 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.582 -0.699 . . . . 0.0 112.138 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -29.19 69.28 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.16 -1.587 . . . . 0.0 113.394 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 tt -81.98 -42.84 18.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.453 1.501 . . . . 0.0 109.36 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.13 69.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.911 1.284 . . . . 0.0 110.505 172.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.4 -56.19 10.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 120.236 1.38 . . . . 0.0 111.658 174.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -54.12 -42.95 70.03 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.462 0.705 . . . . 0.0 110.13 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.8 m -57.71 -31.16 66.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.413 0.685 . . . . 0.0 110.868 -172.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -74.68 -28.59 60.89 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.369 -0.832 . . . . 0.0 113.191 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -64.91 -40.97 95.9 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.04 0.836 . . . . 0.0 109.161 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -55.8 -44.92 78.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.082 1.753 . . . . 0.0 110.711 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.0 mtp -74.98 -15.45 60.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.84 6.47 69.79 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.887 1.232 . . . . 0.0 114.209 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.48 124.99 28.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 120.216 2.008 . . . . 0.0 108.318 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -107.05 -24.69 11.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 42.8 t -57.67 -35.19 70.23 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.216 0.916 . . . . 0.0 110.252 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.41 -61.3 1.88 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.282 1.033 . . . . 0.0 110.677 -165.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.38 -37.57 72.86 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.041 0.837 . . . . 0.0 111.482 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.86 -72.78 0.07 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.87 -11.3 58.36 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.413 -1.429 . . . . 0.0 113.258 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.82 -45.57 50.49 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 120.914 -1.116 . . . . 0.0 111.793 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -154.75 29.39 0.42 Allowed 'General case' 0 C--N 1.344 0.347 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -162.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.62 -4.12 58.83 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.93 15.04 29.73 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.027 0.823 . . . . 0.0 111.514 -162.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.38 103.94 14.74 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.578 1.551 . . . . 0.0 108.003 166.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 117.24 68.47 0.38 Allowed Glycine 0 CA--C 1.521 0.437 0 C-N-CA 124.491 1.043 . . . . 0.0 112.588 171.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.58 -177.34 0.2 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.465 1.106 . . . . 0.0 110.229 178.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 169.027 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 CA--C 1.535 0.398 0 CA-C-O 120.588 0.232 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.46 136.06 57.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.579 0.751 . . . . 0.0 109.323 165.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.35 136.29 22.12 Favored Glycine 0 N--CA 1.437 -1.262 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.19 -18.49 49.15 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-N 116.673 0.237 . . . . 0.0 112.846 172.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.35 10.36 0.07 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 122.224 -0.574 . . . . 0.0 112.228 -161.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.9 p-90 -141.61 171.28 14.27 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.746 1.619 . . . . 0.0 107.088 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.02 -79.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -174.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -54.85 -51.26 66.46 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.023 0.911 . . . . 0.0 111.956 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.8 pp -50.58 -33.14 20.85 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.882 1.673 . . . . 0.0 113.054 175.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.78 -22.06 63.37 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.369 0.986 . . . . 0.0 111.766 -172.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -64.69 -49.84 69.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.411 1.005 . . . . 0.0 110.027 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -54.67 -33.78 61.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.005 0.522 . . . . 0.0 109.788 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.4 0.45 46.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.72 1.608 . . . . 0.0 113.872 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 -5.67 11.07 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 120.57 1.532 . . . . 0.0 112.153 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -56.16 25.7 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 166.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.11 161.86 27.09 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 110.045 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -125.0 177.22 6.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.87 1.668 . . . . 0.0 108.069 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.07 -10.84 15.96 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -164.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -44.58 -63.7 0.84 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.048 1.294 . . . . 0.0 110.122 157.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.69 -31.26 8.98 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -167.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.08 -39.62 66.47 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.139 -0.976 . . . . 0.0 110.233 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' HE3' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -61.74 -57.12 13.14 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.657 1.183 . . . . 0.0 111.351 172.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -53.38 -42.93 67.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.861 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -55.57 -51.44 67.09 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 119.386 0.994 . . . . 0.0 112.193 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.2 -46.4 88.52 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.099 0.863 . . . . 0.0 110.168 176.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.443 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 5.9 tt -64.0 -54.59 31.92 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 125.65 1.58 . . . . 0.0 110.513 -170.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.57 -48.06 82.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.301 2.24 . . . . 0.0 109.56 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.61 -48.7 80.63 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 125.086 1.354 . . . . 0.0 109.53 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.2 -13.5 60.38 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.051 0.941 . . . . 0.0 113.171 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.45 -45.74 11.56 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 119.365 0.984 . . . . 0.0 109.962 167.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -60.09 3.79 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.083 1.753 . . . . 0.0 110.616 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.55 111.01 2.51 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.56 166.05 1.0 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.108 0.963 . . . . 0.0 112.684 169.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 m 56.19 144.48 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.91 2.084 . . . . 0.0 112.764 -170.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -162.18 81.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 120.126 -1.609 . . . . 0.0 108.195 -164.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.26 171.94 0.18 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.58 1.552 . . . . 0.0 111.575 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 75.2 m -84.27 -169.46 2.61 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.481 -0.762 . . . . 0.0 109.845 165.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.41 159.33 4.88 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.659 1.183 . . . . 0.0 111.075 171.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -172.23 86.09 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 106.363 -2.695 . . . . 0.0 106.363 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.6 143.97 55.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 172.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m 59.8 146.04 0.06 OUTLIER Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 128.343 2.657 . . . . 0.0 111.24 -168.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -85.88 155.91 10.09 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.038 2.492 . . . . 0.0 112.294 -170.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.76 102.45 2.85 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 126.249 1.819 . . . . 0.0 106.969 170.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.07 147.52 45.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.861 1.209 . . . . 0.0 109.257 172.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -93.32 151.36 2.48 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.312 3.341 . . . . 0.0 112.487 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -109.16 22.07 16.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.031 1.332 . . . . 0.0 113.601 -166.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.488 ' HE3' ' CD1' ' A' ' 114' ' ' TYR . 0.5 OUTLIER -84.56 78.72 9.79 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 122.245 1.022 . . . . 0.0 109.479 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 t -82.61 5.47 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 125.793 1.637 . . . . 0.0 112.287 -174.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.5 m -123.76 141.24 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 121.426 -0.797 . . . . 0.0 110.567 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.8 91.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 123.759 0.695 . . . . 0.0 113.575 -167.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -14.91 35.87 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.283 1.033 . . . . 0.0 112.769 171.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -108.2 -12.31 15.11 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.831 1.252 . . . . 0.0 111.912 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.63 -24.09 18.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 120.663 -1.273 . . . . 0.0 108.465 155.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.31 -53.04 21.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.166 -0.959 . . . . 0.0 111.97 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.92 -41.52 46.27 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.576 1.55 . . . . 0.0 111.066 170.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.488 ' CD1' ' HE3' ' A' ' 105' ' ' LYS . 1.5 t80 -68.49 -45.21 72.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.974 0.909 . . . . 0.0 110.775 -176.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.29 -39.15 93.34 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.598 -0.689 . . . . 0.0 110.702 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.44 -42.85 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.84 -49.4 72.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.043 0.838 . . . . 0.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -72.87 -32.33 65.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.766 -169.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -129.06 -45.02 1.27 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.552 0.615 . . . . 0.0 112.178 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.25 160.02 13.93 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -172.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -13.71 62.57 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -165.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.52 -81.57 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.392 1.477 . . . . 0.0 110.462 159.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -62.48 -26.83 68.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.712 1.142 . . . . 0.0 111.977 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.9 -13.14 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 118.182 -0.913 . . . . 0.0 112.232 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.454 ' CZ3' ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -119.11 -53.58 2.25 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.45 0.7 . . . . 0.0 110.338 160.286 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -50.72 -35.29 30.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.371 1.869 . . . . 0.0 114.823 -175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -51.37 7.05 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.66 47.01 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.233 1.013 . . . . 0.0 113.081 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.91 -49.84 65.14 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.106 1.363 . . . . 0.0 110.468 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.97 -32.05 63.53 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.841 0.746 . . . . 0.0 111.441 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 m -60.95 -9.2 3.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.526 1.057 . . . . 0.0 111.719 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -55.64 -42.61 75.26 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.047 -1.033 . . . . 0.0 110.439 165.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.44 -32.67 74.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.349 1.06 . . . . 0.0 109.756 -171.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.24 -62.97 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.852 1.261 . . . . 0.0 109.304 171.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.7 mtm -75.46 -12.53 60.26 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -171.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.78 1.59 82.56 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.102 1.81 . . . . 0.0 114.928 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.15 86.29 4.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.465 2.133 . . . . 0.0 110.78 -168.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -53.75 48.31 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.06 0.944 . . . . 0.0 111.134 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -25.43 68.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.258 0.623 . . . . 0.0 111.926 -168.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.39 -59.92 2.68 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -175.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 35.2 t -57.41 -39.35 75.98 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.436 0.695 . . . . 0.0 111.094 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.1 -65.29 0.72 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.705 0.802 . . . . 0.0 110.137 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.79 -18.74 65.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.0 0.92 . . . . 0.0 112.341 -173.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.38 -14.2 62.78 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.888 . . . . 0.0 112.659 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -134.88 -9.66 2.35 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.566 1.146 . . . . 0.0 112.551 -168.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.87 3.89 0.49 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.898 2.479 . . . . 0.0 113.36 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.68 14.46 31.99 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.608 1.575 . . . . 0.0 112.945 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.32 103.74 2.49 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.965 1.306 . . . . 0.0 108.314 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -179.54 169.54 40.62 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 126.402 1.953 . . . . 0.0 110.061 170.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -164.11 168.19 19.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 127.259 2.224 . . . . 0.0 108.591 171.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 C-N-CA 124.761 1.224 . . . . 0.0 108.759 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.353 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 86.11 93.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.096 1.759 . . . . 0.0 108.937 163.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.415 ' HA2' ' CD1' ' A' ' 64' ' ' TRP . . . -135.2 1.99 3.83 Favored Glycine 0 CA--C 1.535 1.281 0 N-CA-C 115.83 1.092 . . . . 0.0 115.83 -151.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.27 -55.32 4.38 Favored Glycine 0 C--N 1.337 0.633 0 CA-C-N 119.163 1.482 . . . . 0.0 111.327 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.98 74.82 5.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.702 1.601 . . . . 0.0 106.962 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.415 ' CD1' ' HA2' ' A' ' 61' ' ' GLY . 1.4 m95 -149.54 168.64 22.96 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -169.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.97 -91.08 0.59 Allowed Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 107.023 -2.431 . . . . 0.0 107.023 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -27.43 7.27 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.368 1.067 . . . . 0.0 113.347 172.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.9 1.2 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.79 -24.99 67.73 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.081 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -10.3 3.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.837 1.655 . . . . 0.0 114.641 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -114.36 -41.07 3.52 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.841 2.057 . . . . 0.0 108.279 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.98 4.28 1.61 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.808 2.443 . . . . 0.0 112.498 177.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -16.79 14.43 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.989 1.716 . . . . 0.0 111.765 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -47.5 79.07 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 120.076 1.307 . . . . 0.0 108.236 174.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.25 160.44 14.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.806 1.242 . . . . 0.0 112.026 -176.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -135.5 -161.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.796 1.639 . . . . 0.0 107.507 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -54.58 -16.39 2.38 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -169.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -51.97 -58.36 6.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.415 1.007 . . . . 0.0 109.957 169.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.65 -21.08 4.53 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.108 0.867 . . . . 0.0 111.034 -169.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.95 -34.4 77.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 119.794 -1.816 . . . . 0.0 110.901 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -44.86 87.73 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.425 170.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.19 -34.74 78.77 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.869 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.405 ' CD2' ' CH2' ' A' ' 132' ' ' TRP . 0.3 OUTLIER -50.63 -60.89 2.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.691 2.042 . . . . 0.0 110.045 171.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -66.21 -25.69 67.04 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.99 -63.96 1.24 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.59 1.556 . . . . 0.0 109.112 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.61 -43.9 69.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 127.306 2.242 . . . . 0.0 110.602 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.53 -48.74 79.67 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.73 70.01 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.921 0.782 . . . . 0.0 111.185 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.68 -34.55 67.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.627 0.771 . . . . 0.0 111.94 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -68.0 -75.72 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.888 1.275 . . . . 0.0 108.306 164.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 48.52 -165.07 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.555 1.542 . . . . 0.0 110.664 -172.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.31 19.99 0.95 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.404 -1.435 . . . . 0.0 112.795 170.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 t -97.78 -178.54 4.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.732 1.213 . . . . 0.0 110.08 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -160.26 165.2 31.86 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.794 1.238 . . . . 0.0 109.682 168.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.8 m 58.74 -176.37 0.08 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.283 1.433 . . . . 0.0 113.762 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m 74.23 -177.99 0.17 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.187 2.595 . . . . 0.0 108.692 -153.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.5 p -134.42 158.89 42.72 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.227 -0.921 . . . . 0.0 108.629 168.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -150.21 72.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 N-CA-C 107.257 -2.337 . . . . 0.0 107.257 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.71 121.19 12.78 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 175.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.8 m 59.05 141.95 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 131.403 3.881 . . . . 0.0 112.2 -166.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -78.44 154.28 27.72 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.344 2.696 . . . . 0.0 110.828 -175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.65 70.18 1.28 Allowed 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.723 1.209 . . . . 0.0 109.394 -169.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -65.18 151.26 94.2 Favored Pre-proline 0 C--O 1.24 0.566 0 C-N-CA 123.388 0.675 . . . . 0.0 110.103 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.81 -175.53 2.48 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.75 2.967 . . . . 0.0 110.649 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -94.9 14.64 20.93 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.43 1.092 . . . . 0.0 113.681 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -96.46 113.82 25.43 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -171.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.1 t -152.62 15.68 0.59 Allowed 'General case' 0 C--O 1.239 0.536 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -161.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -119.93 160.07 23.44 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.572 0.623 . . . . 0.0 112.447 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -30.26 -61.86 0.19 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 128.05 2.738 . . . . 0.0 112.975 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -14.11 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.477 1.511 . . . . 0.0 113.45 -173.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.06 -47.89 7.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.245 0.618 . . . . 0.0 110.511 -172.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.2 t -53.37 -39.35 35.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.65 -62.01 1.94 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.146 0.979 . . . . 0.0 112.229 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -63.03 -24.25 67.83 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.29 0.496 . . . . 0.0 111.945 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.49 -48.18 65.12 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 172.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.9 tp -65.13 -43.75 90.91 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.226 1.01 . . . . 0.0 112.46 -173.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.58 -29.37 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 118.886 0.766 . . . . 0.0 110.076 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.7 59.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.722 1.147 . . . . 0.0 111.932 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -65.86 -50.92 62.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.628 0.649 . . . . 0.0 110.238 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -117.25 -22.69 8.18 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -163.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.2 174.3 45.43 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -152.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.46 -34.91 69.49 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 123.924 0.89 . . . . 0.0 112.684 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -60.29 -84.39 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.499 1.52 . . . . 0.0 109.218 -175.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -65.01 -21.83 66.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.251 0.932 . . . . 0.0 111.684 -172.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.79 -18.83 57.49 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.82 1.191 . . . . 0.0 112.317 174.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -119.9 -49.91 2.3 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 119.501 1.046 . . . . 0.0 109.592 174.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -59.53 -22.66 61.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.738 1.215 . . . . 0.0 113.766 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.75 -41.26 9.34 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.926 1.239 . . . . 0.0 109.481 171.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.92 -45.4 10.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.463 0.705 . . . . 0.0 112.638 170.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.27 -33.35 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.767 1.627 . . . . 0.0 110.795 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -59.62 -49.31 78.25 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 164.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -26.33 54.57 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.195 -1.565 . . . . 0.0 112.678 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.405 ' CH2' ' CD2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -76.06 -24.18 55.11 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.917 1.287 . . . . 0.0 111.681 178.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.88 67.67 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.222 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -73.43 -65.32 0.83 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.64 169.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 6.3 mtm -56.88 -24.88 54.99 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 119.664 1.12 . . . . 0.0 113.313 -165.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.21 67.99 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 119.176 0.898 . . . . 0.0 112.781 172.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -79.11 72.08 5.63 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -61.65 -37.62 84.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.578 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -47.98 53.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.295 1.438 . . . . 0.0 110.508 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.17 -52.48 54.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 124.166 0.986 . . . . 0.0 110.143 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.01 -43.17 99.48 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.519 0.328 . . . . 0.0 111.102 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.52 -61.88 2.11 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.643 1.577 . . . . 0.0 108.119 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -50.09 -32.11 14.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.479 1.112 . . . . 0.0 113.119 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -80.81 -8.08 59.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.666 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.11 20.94 1.1 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 121.271 1.85 . . . . 0.0 112.855 -168.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -112.61 -2.5 14.55 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -168.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.52 27.19 6.9 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.041 0.353 . . . . 0.0 112.49 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.52 70.73 0.07 Allowed 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.016 -1.284 . . . . 0.0 109.764 155.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -172.32 -169.67 35.28 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.925 1.726 . . . . 0.0 110.121 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -90.28 -172.18 3.37 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.599 0.714 . . . . 0.0 109.647 173.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 C--O 1.238 0.476 0 C-N-CA 126.197 1.799 . . . . 0.0 106.504 156.154 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.6 ppp? . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.379 0.609 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 62' ' ' GLY . . . -144.03 15.47 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.095 1.358 . . . . 0.0 113.158 -169.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.38 -39.27 1.45 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.731 1.634 . . . . 0.0 111.687 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 60' ' ' ALA . . . 139.9 -24.09 2.74 Favored Glycine 0 N--CA 1.44 -1.067 0 C-N-CA 128.344 2.878 . . . . 0.0 109.901 -164.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 163.87 19.73 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.862 2.065 . . . . 0.0 112.055 -164.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -156.07 -73.15 0.11 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 120.62 -1.3 . . . . 0.0 108.424 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.73 -100.05 0.03 OUTLIER Glycine 0 C--N 1.336 0.567 0 C-N-CA 126.435 1.969 . . . . 0.0 110.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.84 -41.39 1.13 Allowed 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.592 1.957 . . . . 0.0 112.922 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.7 mt -50.62 -41.89 55.46 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 118.705 0.684 . . . . 0.0 110.798 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.24 65.2 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.782 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.27 -50.07 61.88 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.062 1.301 . . . . 0.0 109.554 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -55.84 -43.46 77.03 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.9 9.52 5.24 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.118 0.967 . . . . 0.0 113.069 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 -5.33 7.72 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.756 1.617 . . . . 0.0 113.272 175.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -40.78 77.96 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 170.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.02 166.0 12.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.94 2.096 . . . . 0.0 110.51 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -127.52 -171.67 2.49 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.765 1.626 . . . . 0.0 108.635 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -47.48 -23.4 0.62 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.809 2.044 . . . . 0.0 113.047 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -38.05 -64.03 0.44 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 128.998 2.919 . . . . 0.0 110.341 164.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -124.41 -22.26 4.72 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.441 1.496 . . . . 0.0 110.854 -170.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.6 tp -57.57 -43.46 84.57 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.866 1.266 . . . . 0.0 110.699 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -63.61 -54.44 35.81 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.025 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -42.18 83.21 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.641 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -49.65 -61.89 1.86 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 120.325 1.42 . . . . 0.0 110.604 173.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -66.53 -28.16 68.32 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.905 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.23 -58.8 3.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.496 2.318 . . . . 0.0 110.206 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.0 -41.79 88.52 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.515 1.526 . . . . 0.0 110.067 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tt -59.94 -57.11 14.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.607 1.163 . . . . 0.0 108.514 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.74 -35.68 71.03 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 111.697 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -61.74 -57.32 12.36 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.586 0.755 . . . . 0.0 109.835 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -58.68 6.98 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.88 -173.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 49.06 -11.21 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 131.549 3.939 . . . . 0.0 119.601 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.98 155.01 0.13 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.557 2.343 . . . . 0.0 109.475 -139.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.6 t -170.49 146.01 2.7 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 163.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 ttt-85 -91.58 132.37 36.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 173.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.9 m 56.37 -172.14 0.07 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.597 0.759 . . . . 0.0 112.04 -173.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.1 p -107.33 110.72 22.8 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.854 1.662 . . . . 0.0 108.84 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.7 m -146.74 118.93 8.28 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.128 0.876 . . . . 0.0 108.964 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.68 -30.12 72.8 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 163.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.74 -166.78 0.07 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.872 2.069 . . . . 0.0 111.002 176.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.5 p -62.17 134.32 94.53 Favored Pre-proline 0 N--CA 1.444 -0.739 0 O-C-N 120.902 -1.124 . . . . 0.0 108.277 171.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.45 154.41 50.5 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.052 1.168 . . . . 0.0 109.512 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -152.13 143.75 23.52 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -127.97 154.09 78.35 Favored Pre-proline 0 C--O 1.238 0.459 0 C-N-CA 124.265 1.026 . . . . 0.0 109.673 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -86.27 124.69 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.255 1.97 . . . . 0.0 114.058 -172.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.73 17.43 2.29 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 128.275 2.63 . . . . 0.0 115.371 -169.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.48 164.11 30.24 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.704 1.202 . . . . 0.0 110.456 -177.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 t -145.0 6.25 1.16 Allowed 'General case' 0 C--O 1.238 0.494 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -164.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.27 156.98 31.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.262 1.025 . . . . 0.0 109.606 173.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.01 69.0 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 124.296 0.95 . . . . 0.0 112.25 -175.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.11 -21.28 66.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.35 1.075 . . . . 0.0 111.881 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.89 -58.43 3.31 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 119.427 1.012 . . . . 0.0 109.425 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.7 m -58.15 -26.69 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.139 0.976 . . . . 0.0 111.96 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.32 -58.92 3.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.456 1.102 . . . . 0.0 113.037 171.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -27.44 68.26 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.345 -0.847 . . . . 0.0 111.915 176.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -49.12 67.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.92 0.782 . . . . 0.0 108.978 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.372 1.069 . . . . 0.0 109.667 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.88 -41.79 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 O-C-N 121.878 -0.514 . . . . 0.0 109.674 173.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -30.69 71.13 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.781 0.832 . . . . 0.0 112.144 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.53 -68.73 0.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.44 -7.51 12.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -149.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.94 177.38 35.98 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -152.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -54.75 -26.94 37.46 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.482 0.713 . . . . 0.0 112.897 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -55.4 -80.46 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.306 1.042 . . . . 0.0 111.546 -170.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.438 ' HA ' ' HB3' ' A' ' 126' ' ' ASP . 0.8 OUTLIER -68.43 -20.81 64.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.186 -179.108 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.35 -14.31 17.86 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.83 -46.63 2.34 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.27 0.941 . . . . 0.0 112.215 164.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.438 ' HB3' ' HA ' ' A' ' 123' ' ' ARG . 16.9 t70 -50.4 -43.03 54.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.742 1.617 . . . . 0.0 114.055 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -40.94 21.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.072 0.939 . . . . 0.0 108.726 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.37 -36.14 41.9 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.01 0.924 . . . . 0.0 112.662 168.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.69 -39.77 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 120.348 1.431 . . . . 0.0 111.448 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -43.47 98.75 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.5 m -61.55 -37.02 82.26 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.848 0.859 . . . . 0.0 109.34 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.465 ' CB ' ' HG ' ' A' ' 141' ' ' CYS . 6.9 m95 -63.6 -36.85 85.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.725 177.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -75.2 -38.5 60.71 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.776 0.716 . . . . 0.0 109.981 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.31 -46.27 69.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.662 1.185 . . . . 0.0 111.379 173.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 66.4 mtp -77.04 -16.34 59.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.61 25.18 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 118.941 0.792 . . . . 0.0 112.491 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.51 81.93 1.66 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.855 1.327 . . . . 0.0 110.186 173.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -61.77 -44.05 97.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 O-C-N 121.324 -0.86 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.4 p -63.2 0.78 0.57 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.647 1.579 . . . . 0.0 114.286 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -105.71 -53.25 2.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.173 1.389 . . . . 0.0 107.819 171.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.465 ' HG ' ' CB ' ' A' ' 132' ' ' TRP . 1.2 m -53.07 -47.29 68.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.44 1.096 . . . . 0.0 113.393 176.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.83 -67.02 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -55.81 -19.48 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.026 1.331 . . . . 0.0 114.163 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.43 63.11 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 116.438 -1.744 . . . . 0.0 112.026 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.478 ' N ' HE21 ' A' ' 145' ' ' GLN 0.27 0.1 OUTLIER -125.51 10.59 7.9 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 120.4 1.455 . . . . 0.0 111.695 175.383 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -115.3 15.01 16.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.197 1.399 . . . . 0.0 110.598 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.36 48.66 29.55 Favored Glycine 0 CA--C 1.526 0.765 0 O-C-N 121.324 -0.86 . . . . 0.0 113.365 166.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.82 -165.67 0.86 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 118.002 0.901 . . . . 0.0 108.642 159.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 154.93 -157.08 27.35 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.193 1.854 . . . . 0.0 110.003 -168.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -129.69 -86.31 0.53 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.974 0.887 . . . . 0.0 109.379 169.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.453 -0.295 0 CA-C-N 118.895 0.77 . . . . 0.0 109.997 -173.021 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.848 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.94 -166.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.92 0.888 . . . . 0.0 108.714 158.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.78 57.91 0.34 Allowed Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 105.716 -2.954 . . . . 0.0 105.716 175.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.45 -33.9 78.54 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.97 90.36 3.31 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 125.59 1.556 . . . . 0.0 108.573 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -146.74 172.97 12.81 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -174.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 -91.68 1.66 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 164.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.31 -44.78 62.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.314 1.446 . . . . 0.0 110.617 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 tp -47.37 -52.7 15.85 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.133 1.373 . . . . 0.0 111.523 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.91 -14.86 58.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.076 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.8 m -63.02 -40.87 99.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 121.681 2.037 . . . . 0.0 110.027 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -61.87 -24.23 66.79 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 123.128 0.571 . . . . 0.0 111.885 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 -8.48 31.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.252 1.021 . . . . 0.0 110.551 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.94 -32.35 57.27 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.484 0.713 . . . . 0.0 110.095 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -9.94 59.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.447 0.699 . . . . 0.0 112.708 -171.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.04 171.95 7.43 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.264 1.825 . . . . 0.0 111.769 -173.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -134.94 169.83 16.81 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.471 1.108 . . . . 0.0 110.366 152.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -39.73 -47.76 2.09 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.579 1.952 . . . . 0.0 112.493 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.26 -16.48 45.82 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 112.237 -168.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -131.54 -24.01 2.28 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.658 0.783 . . . . 0.0 110.406 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.76 -40.8 84.01 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.289 1.436 . . . . 0.0 111.813 173.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -53.82 10.23 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -38.62 70.43 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.58 -1.2 . . . . 0.0 111.463 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -52.78 -61.15 2.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 120.366 1.439 . . . . 0.0 110.084 172.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -24.55 65.32 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.253 -174.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.65 -71.33 0.21 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.224 2.21 . . . . 0.0 109.421 172.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -49.68 -43.73 47.49 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.782 2.033 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -45.14 -67.32 0.29 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 126.559 1.944 . . . . 0.0 111.398 167.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.54 25.37 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -93.52 -38.86 11.18 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.893 1.277 . . . . 0.0 109.283 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.92 -61.9 1.88 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.171 1.388 . . . . 0.0 107.75 163.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.75 160.1 29.59 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.278 0.631 . . . . 0.0 112.25 -166.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 95.79 -172.1 0.0 OUTLIER 'General case' 0 C--O 1.236 0.391 0 C-N-CA 131.073 3.749 . . . . 0.0 108.727 -161.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.63 110.53 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 128.773 2.829 . . . . 0.0 104.998 175.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -153.36 -74.34 0.13 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 t -175.0 -45.67 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.515 2.326 . . . . 0.0 106.897 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t 75.62 118.09 0.05 Allowed 'General case' 0 C--N 1.346 0.422 0 C-N-CA 126.573 1.949 . . . . 0.0 110.128 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 m -66.29 -34.78 78.77 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 121.329 -0.857 . . . . 0.0 109.843 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 79.46 58.63 2.86 Favored Glycine 0 C--N 1.334 0.446 0 N-CA-C 108.112 -1.995 . . . . 0.0 108.112 -174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.2 163.9 11.89 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 163.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 p -59.1 155.17 35.53 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 122.748 0.419 . . . . 0.0 111.463 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.44 153.92 45.07 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 121.111 1.207 . . . . 0.0 109.605 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.11 179.62 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 125.766 1.626 . . . . 0.0 108.456 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -124.0 138.57 30.85 Favored Pre-proline 0 N--CA 1.449 -0.484 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -76.85 142.35 22.37 Favored 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 123.861 3.041 . . . . 0.0 110.433 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.83 45.88 1.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 124.243 1.017 . . . . 0.0 112.112 -175.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 98.37 3.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 120.883 -1.136 . . . . 0.0 109.738 169.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.6 p -104.17 27.8 7.39 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.161 0.984 . . . . 0.0 111.232 171.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 p -118.31 141.24 48.72 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 120.631 -1.293 . . . . 0.0 108.763 165.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.57 -37.63 89.39 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.941 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.2 ptm -74.26 -26.78 60.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.998 -0.707 . . . . 0.0 112.158 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -81.47 -37.19 28.35 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.298 0.954 . . . . 0.0 111.022 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -55.27 -40.94 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 119.289 0.95 . . . . 0.0 108.821 168.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.57 -64.67 0.84 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.737 0.815 . . . . 0.0 112.246 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 p -58.25 -30.32 66.46 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.345 0.52 . . . . 0.0 111.948 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -65.64 -55.15 19.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.84 -41.11 95.98 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.621 -0.674 . . . . 0.0 110.979 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.66 -26.63 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.933 1.293 . . . . 0.0 111.183 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.27 -4.49 25.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.599 1.159 . . . . 0.0 113.583 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -94.56 -38.77 10.72 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 125.051 1.341 . . . . 0.0 110.681 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -111.17 -56.13 2.41 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.771 1.228 . . . . 0.0 110.708 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 118.49 159.09 11.04 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -166.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.19 -32.57 64.49 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 124.678 1.191 . . . . 0.0 113.834 -162.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -60.13 -74.76 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 119.082 0.855 . . . . 0.0 110.439 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -63.44 -30.2 71.36 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.785 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -6.29 8.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.595 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -120.71 -46.35 2.36 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.794 1.179 . . . . 0.0 112.122 156.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.85 -33.52 56.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.313 1.845 . . . . 0.0 114.996 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.99 -48.68 15.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.8 1.64 . . . . 0.0 107.755 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.46 -35.48 63.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.775 2.43 . . . . 0.0 112.887 176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.39 -50.75 68.91 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 124.574 1.15 . . . . 0.0 110.396 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -37.04 83.19 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.945 0.498 . . . . 0.0 110.225 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 77.0 m -64.29 -29.91 70.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.887 0.875 . . . . 0.0 110.126 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -61.71 -47.38 85.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.52 -0.738 . . . . 0.0 110.17 174.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -63.57 -32.25 73.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.114 0.966 . . . . 0.0 111.226 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -60.28 -42.11 94.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.215 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -81.81 -15.37 54.39 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.018 0.826 . . . . 0.0 111.738 171.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.93 60.92 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.67 1.605 . . . . 0.0 114.301 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.82 78.13 5.28 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 120.332 2.066 . . . . 0.0 110.45 -169.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -55.01 -49.29 71.88 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 125.127 1.371 . . . . 0.0 109.988 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.2 m -62.23 -37.72 86.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.585 0.754 . . . . 0.0 111.347 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.11 -49.53 60.53 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.0 t -53.71 -39.27 65.07 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.923 0.889 . . . . 0.0 110.343 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.9 -56.39 9.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.029 2.132 . . . . 0.0 110.935 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.59 -24.97 64.21 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.35 -0.844 . . . . 0.0 110.816 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -81.61 0.71 37.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.42 1.488 . . . . 0.0 113.762 174.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -135.57 -4.43 2.3 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 120.184 1.356 . . . . 0.0 112.703 -176.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -64.34 0.4 1.02 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.432 1.493 . . . . 0.0 114.115 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 149.69 -19.93 1.14 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.91 2.195 . . . . 0.0 110.284 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.86 106.76 0.28 Allowed 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 154.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -155.21 -146.85 4.54 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 127.562 2.506 . . . . 0.0 107.57 171.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -127.57 169.86 13.26 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.9 1.28 . . . . 0.0 110.238 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.236 0.347 0 C-N-CA 123.69 0.796 . . . . 0.0 110.82 -166.542 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.6 ptm . . . . . 0 C--O 1.234 0.239 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.59 97.46 0.05 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 171.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 177.32 17.44 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.051 0 CA-C-O 118.456 -1.191 . . . . 0.0 111.872 -156.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.61 -21.22 6.51 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 117.934 1.934 . . . . 0.0 117.934 -151.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.58 29.22 0.33 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.522 1.129 . . . . 0.0 111.353 172.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -146.14 -36.57 0.26 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.357 -169.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.8 -105.69 0.04 OUTLIER Glycine 0 CA--C 1.526 0.72 0 C-N-CA 127.012 2.244 . . . . 0.0 112.988 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -16.55 40.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 117.661 -1.161 . . . . 0.0 113.534 -172.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mp -41.01 -58.05 1.84 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.555 1.542 . . . . 0.0 109.966 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -17.36 62.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.6 -1.191 . . . . 0.0 112.346 -172.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 16.5 t -67.21 -45.03 78.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 120.245 1.384 . . . . 0.0 108.498 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -62.37 -43.49 98.7 Favored 'General case' 0 CA--C 1.523 -0.084 0 O-C-N 121.205 -0.935 . . . . 0.0 109.407 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 9.53 3.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.583 0.753 . . . . 0.0 111.987 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -107.18 -15.07 14.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.319 2.248 . . . . 0.0 110.109 166.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -60.2 2.56 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.256 1.389 . . . . 0.0 107.986 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -89.94 149.54 22.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.862 1.315 . . . . 0.0 110.148 -173.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -116.76 -171.83 2.09 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.506 1.922 . . . . 0.0 107.599 -175.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -60.55 -14.78 21.92 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 117.093 -1.432 . . . . 0.0 114.54 -160.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -49.37 -71.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.512 1.051 . . . . 0.0 109.769 163.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -106.99 -17.51 14.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -160.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.46 -42.81 99.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.207 1.003 . . . . 0.0 109.004 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -69.28 -48.11 62.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 115.809 -2.043 . . . . 0.0 110.113 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.47 -45.86 69.74 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.786 1.63 . . . . 0.0 110.082 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -54.78 -46.05 74.36 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 119.294 0.952 . . . . 0.0 111.569 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.92 -46.92 82.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.035 0.834 . . . . 0.0 111.143 175.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.06 -64.41 0.89 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.398 2.679 . . . . 0.0 109.157 -170.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.18 -48.53 67.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.989 2.116 . . . . 0.0 110.489 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.76 -56.45 19.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.747 1.219 . . . . 0.0 109.236 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.13 67.61 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.124 -0.985 . . . . 0.0 111.27 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.73 -29.28 40.57 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.376 1.07 . . . . 0.0 111.486 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.2 93.67 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 109.493 163.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.14 59.16 3.22 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.048 1.339 . . . . 0.0 110.935 -176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.52 124.08 3.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.583 1.953 . . . . 0.0 111.725 164.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 p -153.25 179.88 8.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.902 0.881 . . . . 0.0 108.829 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 50.29 -159.7 0.08 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.309 1.043 . . . . 0.0 108.946 -150.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.5 m -147.2 166.12 27.95 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 162.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.3 m 63.66 161.36 0.1 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.756 1.222 . . . . 0.0 110.166 -154.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m 49.95 -167.87 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.701 0.8 . . . . 0.0 112.012 -161.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.03 -76.87 0.4 Allowed Glycine 0 C--N 1.334 0.471 0 N-CA-C 105.961 -2.856 . . . . 0.0 105.961 169.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.02 135.31 55.46 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 160.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -73.24 164.81 58.22 Favored Pre-proline 0 C--O 1.242 0.691 0 C-N-CA 123.723 0.809 . . . . 0.0 110.676 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -72.4 178.99 5.48 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.416 2.077 . . . . 0.0 110.05 164.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 57.36 64.18 1.67 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.747 2.019 . . . . 0.0 111.881 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -62.05 144.96 93.75 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.754 170.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.64 162.0 30.47 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.306 2.67 . . . . 0.0 111.646 -173.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -109.42 14.47 23.6 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.686 1.594 . . . . 0.0 113.23 -172.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -83.58 153.75 24.16 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 168.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.9 p -144.37 -1.78 0.91 Allowed 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.688 1.195 . . . . 0.0 113.348 -173.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 m -123.93 141.19 52.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 118.49 0.587 . . . . 0.0 109.789 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.76 -53.95 9.63 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 125.484 1.516 . . . . 0.0 113.015 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.9 ptp -54.26 -27.93 38.26 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.474 1.51 . . . . 0.0 114.302 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.07 -34.32 10.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.435 1.016 . . . . 0.0 110.983 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.45 -40.03 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 167.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -60.88 3.16 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.906 1.23 . . . . 0.0 111.551 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p -63.02 -24.67 68.03 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.708 -0.62 . . . . 0.0 112.061 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -74.11 -42.88 59.37 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.378 1.071 . . . . 0.0 109.56 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.38 -48.96 79.66 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.723 1.209 . . . . 0.0 110.309 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -53.96 -44.94 63.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.919 0.887 . . . . 0.0 109.744 172.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.54 -59.82 4.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.31 0.959 . . . . 0.0 110.339 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.03 -40.95 97.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 113.145 -169.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -119.78 -24.01 6.3 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 97.17 158.17 30.98 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -168.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -27.84 58.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.847 1.659 . . . . 0.0 115.009 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.34 -74.99 0.09 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.42 1.088 . . . . 0.0 110.354 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.17 -24.61 66.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.876 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.87 -18.9 25.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.078 -0.963 . . . . 0.0 112.298 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.79 -56.97 2.28 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 118.951 0.796 . . . . 0.0 110.408 162.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.33 -29.96 6.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.736 2.014 . . . . 0.0 116.396 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.82 -53.62 4.66 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 169.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.74 -26.19 22.24 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.323 1.449 . . . . 0.0 114.3 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.78 -40.28 79.45 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 127.317 2.247 . . . . 0.0 110.068 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -20.97 53.77 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.283 0.947 . . . . 0.0 112.697 -166.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 58.4 p -62.49 -25.53 68.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.286 1.434 . . . . 0.0 110.59 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -58.43 -39.21 79.18 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.95 -36.87 64.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.597 1.159 . . . . 0.0 108.699 -170.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.11 -55.15 6.02 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.274 1.03 . . . . 0.0 111.956 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 53.7 mtp -73.82 -18.0 61.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.967 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.86 6.91 69.13 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.354 1.931 . . . . 0.0 115.269 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.2 95.59 5.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.572 2.186 . . . . 0.0 111.003 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.77 -59.06 5.24 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.083 1.353 . . . . 0.0 110.9 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.0 t -67.12 -18.85 65.48 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.857 -170.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 22.4 mt -69.37 -62.35 1.41 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.494 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 19.0 t -50.5 -39.15 47.74 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 118.573 0.624 . . . . 0.0 112.095 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.01 -83.41 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.898 2.079 . . . . 0.0 109.127 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.52 -25.2 67.91 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.515 -1.366 . . . . 0.0 113.751 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.26 -24.28 18.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.053 0.941 . . . . 0.0 112.723 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -139.66 26.34 2.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.247 1.419 . . . . 0.0 110.982 -163.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -128.63 38.49 3.95 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.616 -1.303 . . . . 0.0 112.259 -175.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 82.63 6.75 88.26 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 126.161 1.839 . . . . 0.0 113.303 170.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.41 7.79 0.74 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.003 2.121 . . . . 0.0 115.747 -163.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -43.1 131.97 5.44 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 126.022 1.772 . . . . 0.0 112.728 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 48.33 173.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 130.224 3.41 . . . . 0.0 117.273 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 -172.749 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 122.816 1.293 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.77 140.37 44.26 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 128.888 2.875 . . . . 0.0 106.404 173.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.01 70.11 1.35 Allowed Glycine 0 N--CA 1.435 -1.388 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -48.41 -43.1 26.97 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 162.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.45 31.38 0.11 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.732 0.813 . . . . 0.0 111.913 -170.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -146.26 -64.71 0.3 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.031 -1.043 . . . . 0.0 109.163 -176.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.76 -101.01 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 126.31 1.91 . . . . 0.0 111.718 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -54.44 -26.03 28.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 117.845 -1.074 . . . . 0.0 113.148 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -49.73 -51.32 39.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.123 1.328 . . . . 0.0 110.587 169.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -21.81 65.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 117.754 -1.117 . . . . 0.0 111.396 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.64 -43.79 62.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.971 1.26 . . . . 0.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.49 -42.04 91.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.884 -1.135 . . . . 0.0 108.681 168.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.69 8.07 2.63 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -110.7 -8.0 14.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.547 1.939 . . . . 0.0 110.996 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -59.25 2.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 169.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.82 165.1 25.52 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.39 1.476 . . . . 0.0 111.144 -174.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.26 -169.85 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.009 1.323 . . . . 0.0 111.58 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -53.11 -11.64 0.28 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.61 -66.14 0.59 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.98 0.912 . . . . 0.0 109.585 163.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -104.21 -22.58 13.37 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.611 -0.68 . . . . 0.0 109.596 -157.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.02 -41.01 82.23 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.655 1.182 . . . . 0.0 109.333 167.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -66.36 0.53 Allowed 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 125.415 1.486 . . . . 0.0 110.079 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.61 71.33 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.92 0.782 . . . . 0.0 110.818 -172.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -55.43 -60.52 3.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.644 1.111 . . . . 0.0 111.278 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -68.46 -28.1 66.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.527 -0.733 . . . . 0.0 111.289 -171.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.39 -65.63 0.65 Allowed 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 126.871 2.068 . . . . 0.0 109.274 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.45 -41.18 89.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.266 1.026 . . . . 0.0 111.376 -176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.73 -50.85 71.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.009 0.924 . . . . 0.0 108.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.31 -29.4 70.48 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 118.976 -0.535 . . . . 0.0 111.898 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -68.48 -49.09 62.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.71 0.686 . . . . 0.0 109.961 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -60.76 2.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 128.298 2.639 . . . . 0.0 110.366 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.57 95.82 1.12 Allowed 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.44 102.44 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.942 1.297 . . . . 0.0 110.492 175.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.9 p -151.4 164.81 35.89 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 61.04 -55.31 0.1 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 127.293 2.237 . . . . 0.0 112.1 -164.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 p -57.22 87.79 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.192 2.197 . . . . 0.0 111.457 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 p -156.0 -52.45 0.08 Allowed 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.556 -0.715 . . . . 0.0 110.458 -171.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.1 m -130.13 -2.93 4.51 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.309 0.643 . . . . 0.0 112.058 -168.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.06 -8.22 6.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.258 1.408 . . . . 0.0 114.794 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -79.1 102.69 8.56 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.147 1.779 . . . . 0.0 111.319 -168.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.266 0.3 OUTLIER 70.35 166.45 0.13 Allowed Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 126.027 1.731 . . . . 0.0 113.923 163.617 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.35 168.71 23.49 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.08 3.186 . . . . 0.0 111.336 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.43 74.3 0.61 Allowed 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -90.52 138.62 26.7 Favored Pre-proline 0 C--O 1.239 0.53 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.62 162.84 34.96 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 124.145 3.23 . . . . 0.0 110.162 169.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -126.01 22.47 7.33 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.263 1.425 . . . . 0.0 112.16 -167.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -126.77 147.48 49.99 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 123.88 0.872 . . . . 0.0 109.581 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -144.42 14.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.448 1.099 . . . . 0.0 111.955 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 m -136.87 148.83 47.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.07 -45.96 94.48 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 124.195 0.902 . . . . 0.0 112.378 -165.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ptp -66.17 -23.97 66.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.929 -0.748 . . . . 0.0 111.725 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -89.89 -35.95 15.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.618 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.66 -33.42 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 119.826 1.193 . . . . 0.0 109.833 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.21 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.175 -0.953 . . . . 0.0 111.233 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.8 t -52.8 -37.99 60.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.042 0.937 . . . . 0.0 111.222 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.87 75.93 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.687 1.195 . . . . 0.0 110.335 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.58 -32.27 60.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.473 -0.767 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.23 -42.41 95.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.37 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.954 0.797 . . . . 0.0 111.278 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -68.0 -55.38 12.84 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.665 174.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -133.75 -2.67 2.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 117.778 2.51 . . . . 0.0 117.778 -162.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.25 167.49 24.82 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 120.818 1.644 . . . . 0.0 112.24 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.97 42.97 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.73 2.012 . . . . 0.0 114.132 -170.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -64.52 -83.97 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 119.226 0.921 . . . . 0.0 108.558 167.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -63.29 -28.66 70.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.633 -0.667 . . . . 0.0 111.699 -169.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.89 -11.43 18.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.586 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.23 -52.5 2.17 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.828 164.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -45.7 -42.47 11.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.867 2.067 . . . . 0.0 114.092 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -46.8 13.6 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.98 -37.11 30.96 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.817 2.047 . . . . 0.0 113.047 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -45.68 84.27 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 126.18 1.792 . . . . 0.0 110.524 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -34.49 73.32 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.826 0.45 . . . . 0.0 110.737 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -68.89 -16.76 63.85 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.991 -1.068 . . . . 0.0 110.576 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -73.44 -31.3 63.74 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.259 -0.9 . . . . 0.0 111.744 167.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -43.92 81.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.723 171.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -52.9 -62.53 1.59 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.561 1.144 . . . . 0.0 110.303 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 38.5 mtp -72.16 -8.39 54.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.088 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.9 14.32 82.73 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 119.826 1.194 . . . . 0.0 113.792 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.86 69.57 5.05 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 126.455 1.902 . . . . 0.0 108.708 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -67.86 -28.17 67.32 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 117.028 -1.463 . . . . 0.0 111.826 -175.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.1 m -57.5 -47.15 82.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.267 1.394 . . . . 0.0 109.895 171.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.7 mt -67.25 -46.62 73.17 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.108 0.563 . . . . 0.0 111.147 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.85 -46.12 88.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.876 0.87 . . . . 0.0 109.902 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.01 1.45 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.483 1.513 . . . . 0.0 109.337 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.89 -28.89 67.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.682 1.128 . . . . 0.0 113.428 -173.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.99 58.14 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -138.24 22.45 2.78 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.086 2.555 . . . . 0.0 109.287 -171.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -139.29 66.33 1.41 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.455 1.502 . . . . 0.0 109.38 -177.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.87 14.17 63.37 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 118.879 -0.956 . . . . 0.0 113.205 175.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -143.17 54.09 1.36 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.785 1.293 . . . . 0.0 109.995 172.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -61.61 -63.14 5.08 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.85 -76.11 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.941 1.697 . . . . 0.0 109.253 -164.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.45 -0.468 0 C-N-CA 125.871 1.668 . . . . 0.0 107.831 163.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.7 mmm . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -142.48 109.87 5.68 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 127.582 2.353 . . . . 0.0 105.371 170.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.71 -10.23 2.65 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-O 119.384 -0.676 . . . . 0.0 114.222 -169.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.48 -49.85 0.83 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.62 -8.04 0.27 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 39.7 p-90 -110.22 12.01 23.43 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -150.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -17.88 57.81 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.444 -1.198 . . . . 0.0 115.164 -172.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.09 -36.75 9.59 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.093 1.947 . . . . 0.0 110.764 166.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.46 -45.62 73.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.113 1.324 . . . . 0.0 109.783 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.37 70.29 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.058 -0.972 . . . . 0.0 112.393 175.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -64.51 -41.81 96.19 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.053 1.297 . . . . 0.0 110.293 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -58.23 -53.87 53.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.86 -4.24 4.24 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.123 2.169 . . . . 0.0 113.647 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -91.47 -17.16 26.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.394 1.477 . . . . 0.0 111.069 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.44 -55.44 5.38 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.583 1.538 . . . . 0.0 110.234 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -67.54 157.58 34.0 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.856 1.262 . . . . 0.0 110.748 177.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -120.23 -172.45 2.36 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.766 1.627 . . . . 0.0 107.363 169.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HE3' ' O ' ' A' ' 106' ' ' THR . 3.4 mptt -53.04 -15.57 0.85 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -175.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.88 -37.63 32.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.02 2.128 . . . . 0.0 112.187 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.42 -6.15 0.48 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.402 0.681 . . . . 0.0 111.921 169.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.95 -40.09 75.77 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.481 -2.012 . . . . 0.0 111.201 165.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -57.81 -55.41 35.26 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 173.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -54.47 -38.81 66.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.296 1.038 . . . . 0.0 111.023 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -56.27 -61.3 2.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.531 1.06 . . . . 0.0 110.033 172.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -27.52 67.25 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.257 0.935 . . . . 0.0 112.81 -172.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -63.08 -68.11 0.37 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 129.464 3.105 . . . . 0.0 108.749 172.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.33 -47.1 86.67 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.331 1.452 . . . . 0.0 109.375 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -50.75 -52.41 40.88 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.33 1.452 . . . . 0.0 111.14 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.29 -21.68 65.67 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.495 -0.753 . . . . 0.0 112.194 -176.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -88.31 -45.33 10.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.14 0.976 . . . . 0.0 109.988 -176.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -61.94 1.98 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.777 2.031 . . . . 0.0 109.745 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.91 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.23 2.212 . . . . 0.0 113.648 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.38 45.85 1.3 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.217 1.007 . . . . 0.0 109.629 171.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -142.5 151.5 41.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.14 0.976 . . . . 0.0 109.84 -173.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -146.07 -20.36 0.45 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.613 1.165 . . . . 0.0 112.138 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.3 p -144.2 75.3 1.46 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.381 1.072 . . . . 0.0 108.129 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.4 m 66.64 -45.27 0.44 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.592 2.757 . . . . 0.0 115.132 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.0 -86.2 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.829 2.051 . . . . 0.0 109.193 -163.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.77 9.9 0.02 OUTLIER Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.57 1.081 . . . . 0.0 112.825 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -70.24 164.27 24.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.798 1.299 . . . . 0.0 110.413 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.43 148.16 38.21 Favored Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.49 155.87 67.54 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 121.19 1.26 . . . . 0.0 110.878 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.56 168.19 26.71 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 127.622 2.369 . . . . 0.0 107.354 173.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -134.98 148.67 67.84 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 123.779 0.832 . . . . 0.0 110.502 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.96 160.44 43.11 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.795 2.997 . . . . 0.0 113.553 -174.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -139.52 72.64 1.4 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.774 1.63 . . . . 0.0 107.256 163.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' HE3' ' CG ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -162.6 127.35 3.18 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.144 -0.973 . . . . 0.0 110.509 179.127 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.43 ' O ' ' HE3' ' A' ' 76' ' ' LYS 0.267 2.2 t -133.07 16.23 4.17 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.558 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.41 152.63 20.5 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 119.932 -1.73 . . . . 0.0 107.6 159.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.5 -35.23 74.89 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 169.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ptp -68.44 -7.62 33.44 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.694 -1.474 . . . . 0.0 113.105 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -99.09 -29.91 12.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.232 1.413 . . . . 0.0 111.338 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.95 -27.75 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 119.662 -1.899 . . . . 0.0 110.8 168.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -61.03 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.119 1.368 . . . . 0.0 112.396 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 p -56.69 -31.24 64.27 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.448 ' CG ' ' HE3' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -68.97 -40.03 79.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.851 0.75 . . . . 0.0 111.138 179.577 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.52 -44.47 82.41 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.792 -0.567 . . . . 0.0 109.512 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 10.4 t -67.39 -31.8 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 122.941 0.496 . . . . 0.0 110.473 173.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.55 87.92 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.152 -0.968 . . . . 0.0 111.788 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -74.73 -58.29 3.38 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.681 -0.637 . . . . 0.0 110.858 175.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.68 6.64 6.79 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -162.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 70.58 -106.85 1.97 Allowed Glycine 0 C--O 1.216 -0.999 0 CA-C-O 123.031 1.351 . . . . 0.0 111.353 -178.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -120.61 -46.18 2.38 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.513 -2.169 . . . . 0.0 110.458 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -52.7 -82.77 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 -174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -19.18 64.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.657 1.117 . . . . 0.0 111.354 177.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -17.51 63.72 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 120.168 1.349 . . . . 0.0 111.824 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -54.9 2.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 124.051 0.94 . . . . 0.0 108.82 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.12 -37.51 15.58 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.731 1.605 . . . . 0.0 114.889 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -56.19 4.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 172.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.78 24.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -52.47 -38.93 60.48 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 128.406 2.682 . . . . 0.0 111.445 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -53.09 -34.77 58.11 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -12.75 61.04 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.706 -1.246 . . . . 0.0 110.986 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . 0.403 ' CZ3' HD11 ' A' ' 140' ' ' LEU . 7.4 m95 -78.85 -18.35 54.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 120.69 -1.256 . . . . 0.0 112.565 169.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.03 -57.2 12.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 161.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.35 -50.31 74.12 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.775 1.23 . . . . 0.0 112.312 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 42.2 mtp -84.29 -12.24 55.0 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.414 -0.804 . . . . 0.0 112.802 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.29 7.3 88.56 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 119.338 0.972 . . . . 0.0 115.406 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.32 80.85 5.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.127 1.464 . . . . 0.0 108.539 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -55.09 -46.42 75.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.498 177.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.1 p -46.87 -53.35 12.32 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 126.473 1.909 . . . . 0.0 111.183 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.403 HD11 ' CZ3' ' A' ' 132' ' ' TRP . 89.5 mt -68.34 -40.71 81.48 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.754 -0.591 . . . . 0.0 110.864 -174.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 20.6 t -60.59 -43.84 96.9 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.271 0.487 . . . . 0.0 110.414 173.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.88 -63.55 1.06 Allowed 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.397 1.479 . . . . 0.0 108.88 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -53.54 -26.04 19.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.478 1.49 . . . . 0.0 113.152 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.65 63.58 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.14 1.336 . . . . 0.0 113.126 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -142.82 8.55 1.71 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 120.822 1.646 . . . . 0.0 112.747 -163.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -103.58 19.31 20.05 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.095 1.758 . . . . 0.0 110.349 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.4 31.0 75.84 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 125.052 1.311 . . . . 0.0 110.575 -171.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 55.86 6.37 0.21 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.003 2.121 . . . . 0.0 114.533 -166.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.7 65.97 1.62 Allowed Glycine 0 C--N 1.334 0.458 0 N-CA-C 107.439 -2.265 . . . . 0.0 107.439 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -146.29 -22.58 0.44 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 117.298 -1.334 . . . . 0.0 114.452 -171.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 C--O 1.24 0.59 0 CA-C-N 120.318 1.417 . . . . 0.0 109.859 -175.748 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 118.935 -0.555 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.88 -113.47 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -47.84 -22.01 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 127.629 2.372 . . . . 0.0 113.744 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.43 -51.13 37.54 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.309 1.413 . . . . 0.0 109.662 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.58 -11.24 60.57 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.87 -42.37 63.74 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 119.891 1.223 . . . . 0.0 109.547 171.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -57.7 -45.95 85.01 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.67 17.06 0.58 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.534 1.134 . . . . 0.0 112.904 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -24.06 13.76 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.86 -1.15 . . . . 0.0 110.263 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -67.09 -49.59 64.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.576 0.625 . . . . 0.0 109.403 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -96.8 151.64 19.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.093 0.949 . . . . 0.0 111.884 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -126.83 -168.75 1.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 128.606 2.763 . . . . 0.0 107.108 -175.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -27.84 34.85 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 0.0 112.821 -171.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.17 -34.97 4.66 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -143.37 -9.07 0.75 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 170.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.18 -37.53 83.26 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.922 2.146 . . . . 0.0 111.747 171.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HE3' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -62.15 -52.81 62.32 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.677 169.56 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.65 -37.6 73.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.659 1.118 . . . . 0.0 111.034 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.85 -59.12 5.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 119.055 0.843 . . . . 0.0 111.087 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -63.08 -23.64 67.54 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.753 -0.592 . . . . 0.0 112.232 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.06 -65.84 0.79 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 127.649 2.38 . . . . 0.0 109.932 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 mt -50.36 -44.35 54.64 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.114 2.166 . . . . 0.0 111.329 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 127' ' ' LEU . 2.3 tp -40.89 -59.23 1.48 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.553 2.341 . . . . 0.0 110.923 168.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.76 -20.16 64.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.023 0.529 . . . . 0.0 112.169 -171.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -77.64 -51.33 10.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -54.09 50.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.019 1.328 . . . . 0.0 109.409 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 C-N-CA 129.694 3.198 . . . . 0.0 113.227 167.126 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.266 12.9 t -109.88 -35.13 6.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.494 -168.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.6 t -79.25 161.86 26.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 120.578 1.535 . . . . 0.0 108.583 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.46 -42.69 90.03 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 170.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 30.6 mtm -55.04 -39.94 69.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 122.038 0.923 . . . . 0.0 111.099 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.75 -42.0 59.04 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.426 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.49 -25.24 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.387 0.675 . . . . 0.0 109.948 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 109' ' ' MET . . . -66.46 -65.39 0.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.028 -1.045 . . . . 0.0 111.618 174.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.4 m -65.64 -16.96 64.23 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.49 -54.97 10.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.716 1.206 . . . . 0.0 109.191 169.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.19 -34.76 76.87 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.577 -0.702 . . . . 0.0 111.946 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.24 -23.33 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 121.83 -0.544 . . . . 0.0 110.907 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.25 -47.59 17.59 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.018 -1.051 . . . . 0.0 109.5 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -52.4 -46.53 66.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.816 0.846 . . . . 0.0 110.064 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.75 -77.48 0.59 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.962 0.905 . . . . 0.0 110.241 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 151.14 -172.78 30.71 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 105.208 -3.157 . . . . 0.0 105.208 -162.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.93 -42.89 85.76 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.445 2.123 . . . . 0.0 110.204 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.61 -79.6 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.637 1.175 . . . . 0.0 111.284 -168.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -70.46 -4.99 25.38 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 117.335 -1.317 . . . . 0.0 112.061 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.04 -72.75 0.14 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 120.457 1.481 . . . . 0.0 107.75 160.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -72.05 -40.6 68.23 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -165.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.16 -40.51 81.62 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.026 -1.046 . . . . 0.0 111.067 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 86' ' ' LEU . 3.4 tt -77.28 -36.55 54.18 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.877 1.271 . . . . 0.0 109.315 176.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.99 78.31 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.446 -1.409 . . . . 0.0 111.566 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.11 -20.79 65.84 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.634 1.573 . . . . 0.0 112.524 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -75.91 -47.3 25.83 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.871 -0.518 . . . . 0.0 110.875 161.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.7 m -61.78 -25.76 67.67 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.486 -1.384 . . . . 0.0 111.315 -168.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -76.21 -21.3 56.61 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.268 -1.52 . . . . 0.0 112.546 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -36.57 84.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.974 1.31 . . . . 0.0 109.275 167.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.92 -59.82 3.47 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.355 0.662 . . . . 0.0 109.511 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -61.75 -47.79 83.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.129 0.877 . . . . 0.0 112.369 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.86 41.98 1.75 Allowed Glycine 0 CA--C 1.522 0.52 0 CA-C-N 118.715 0.689 . . . . 0.0 111.817 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.453 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.7 mm? -104.12 70.64 0.99 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 118.542 1.171 . . . . 0.0 108.268 173.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -60.31 -32.52 71.3 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.629 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -57.09 -42.27 80.39 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 119.099 -0.477 . . . . 0.0 110.552 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.793 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.5 mm? -71.8 -48.82 43.82 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 118.662 0.665 . . . . 0.0 109.316 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.25 -27.64 47.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.288 1.035 . . . . 0.0 112.43 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.43 -61.65 1.88 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.224 1.41 . . . . 0.0 109.407 171.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -49.31 -42.16 40.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.9 2.08 . . . . 0.0 111.913 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -20.1 52.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.398 1.879 . . . . 0.0 113.299 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 125.428 1.491 . . . . 0.0 112.259 -172.631 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 51.35 -114.1 2.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -25.39 61.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 118.259 -0.876 . . . . 0.0 112.277 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -50.81 -50.95 55.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 119.836 1.198 . . . . 0.0 111.0 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.12 -21.7 66.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.515 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.74 -35.48 77.16 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.011 1.278 . . . . 0.0 111.278 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -65.65 -44.17 87.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.333 0.97 . . . . 0.0 108.702 172.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt -72.68 -2.58 20.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.4 0.68 . . . . 0.0 112.58 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.11 -7.6 55.44 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.295 1.438 . . . . 0.0 111.673 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -84.11 -69.13 0.66 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 120.074 1.307 . . . . 0.0 108.974 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.16 165.94 12.76 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 111.98 178.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -132.13 -167.72 1.93 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.803 2.041 . . . . 0.0 107.397 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.411 ' H ' ' HD2' ' A' ' 76' ' ' LYS . 9.8 mptt -51.54 -29.28 16.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.37 1.468 . . . . 0.0 112.033 -166.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -42.46 -43.33 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.918 2.087 . . . . 0.0 112.386 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -125.8 -28.95 3.17 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.698 0.799 . . . . 0.0 110.137 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.9 tp -50.39 -34.7 25.24 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 119.44 -2.038 . . . . 0.0 113.09 170.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -52.53 63.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.098 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.25 -44.41 79.63 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 116.698 -1.62 . . . . 0.0 109.752 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.86 -61.39 2.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 121.204 1.82 . . . . 0.0 110.17 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -66.01 -26.14 67.4 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.38 -1.45 . . . . 0.0 112.023 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -57.46 3.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.045 -1.035 . . . . 0.0 110.759 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.05 -21.78 34.0 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.013 1.325 . . . . 0.0 112.085 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -68.19 0.39 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.43 78.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.933 1.293 . . . . 0.0 111.489 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -67.04 -19.0 65.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.325 1.45 . . . . 0.0 113.518 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -83.02 -54.12 5.3 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 166.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.607 0 C-N-CA 126.845 2.058 . . . . 0.0 111.0 -165.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -132.3 65.95 1.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.697 1.199 . . . . 0.0 107.928 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 65.8 m -134.12 143.57 48.05 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 166.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.66 46.09 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.001 0.81 . . . . 0.0 111.179 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.1 mtm -54.18 -35.8 62.72 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.418 1.087 . . . . 0.0 112.476 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -90.56 -40.79 11.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.986 -167.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.48 -37.25 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 167.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.72 66.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.353 0.979 . . . . 0.0 112.549 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -60.08 -29.2 68.41 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.066 -0.396 . . . . 0.0 111.178 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.34 -43.1 58.05 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.4 1.48 . . . . 0.0 110.239 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.94 -42.41 76.76 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.375 -0.828 . . . . 0.0 110.665 -172.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.82 -30.87 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.908 0.776 . . . . 0.0 110.05 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.03 -0.18 26.91 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -117.41 -40.28 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 0.0 109.646 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.22 -17.51 10.78 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.904 1.681 . . . . 0.0 114.667 -172.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.95 155.97 0.96 Allowed Glycine 0 CA--C 1.53 1.007 0 CA-C-N 119.6 1.091 . . . . 0.0 111.155 -165.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -8.51 12.18 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -170.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -68.41 -81.62 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.761 0.824 . . . . 0.0 109.111 166.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.28 -28.66 70.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.679 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.29 -16.75 48.88 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.64 1.109 . . . . 0.0 112.115 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -113.32 -46.99 3.04 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 119.568 1.076 . . . . 0.0 111.767 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.97 -32.83 68.24 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.521 1.055 . . . . 0.0 112.094 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.7 tt -81.49 -37.06 28.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.622 -1.299 . . . . 0.0 110.018 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.43 76.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.659 0.784 . . . . 0.0 110.944 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.79 -34.36 67.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.481 -0.762 . . . . 0.0 110.567 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -70.16 -57.35 5.03 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.493 1.042 . . . . 0.0 110.675 167.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.5 m -39.42 -47.6 1.82 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.623 1.969 . . . . 0.0 113.767 -163.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.619 ' CZ3' HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -92.17 -3.04 56.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -173.396 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -55.71 -53.72 53.16 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.714 159.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -67.09 -17.5 64.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.363 -0.827 . . . . 0.0 112.597 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.5 mtm -80.68 -8.93 59.8 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.117 1.326 . . . . 0.0 112.773 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.82 43.02 85.27 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 120.044 1.293 . . . . 0.0 112.404 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.725 ' HB2' HD23 ' A' ' 140' ' ' LEU 0.583 0.0 OUTLIER -126.72 59.02 1.39 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.405 1.482 . . . . 0.0 111.617 170.836 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -57.62 -25.17 59.73 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.4 m -63.79 -22.93 67.15 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.073 1.306 . . . . 0.0 113.12 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.725 HD23 ' HB2' ' A' ' 137' ' ' LEU . 2.5 mm? -64.23 -57.29 9.9 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.111 1.365 . . . . 0.0 108.405 168.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -49.22 24.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.67 1.588 . . . . 0.0 109.941 176.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.34 25.2 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -54.66 -36.98 65.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.813 0.733 . . . . 0.0 112.228 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.64 -21.13 9.65 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.358 1.463 . . . . 0.0 113.034 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 . . . . . 0 CA--C 1.537 0.48 0 CA-C-N 119.862 1.21 . . . . 0.0 111.534 -176.685 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.29 -79.18 0.31 Allowed Glycine 0 CA--C 1.508 -0.355 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 mtm105 -41.84 -52.29 4.05 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.153 1.381 . . . . 0.0 111.686 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -55.56 -44.98 77.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.771 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.82 60.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.87 0.759 . . . . 0.0 111.877 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -66.38 -58.89 4.33 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.342 1.457 . . . . 0.0 109.427 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -65.4 -37.55 87.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 120.717 -1.239 . . . . 0.0 110.733 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.48 -1.94 7.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.817 1.647 . . . . 0.0 112.367 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -101.27 -20.64 15.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 110.671 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.498 ' HE2' HD11 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -64.07 -53.71 45.47 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 119.901 1.228 . . . . 0.0 108.166 178.303 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.4 154.29 24.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.637 1.208 . . . . 0.0 110.437 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -120.46 179.6 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.226 1.811 . . . . 0.0 106.8 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -27.73 0.64 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.574 1.55 . . . . 0.0 114.023 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -31.07 -61.32 0.19 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.996 2.118 . . . . 0.0 112.061 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -118.19 -25.79 6.53 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.988 1.715 . . . . 0.0 110.669 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.1 -31.96 71.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.245 1.418 . . . . 0.0 111.028 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -68.0 0.35 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 115.534 -2.174 . . . . 0.0 110.107 172.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' CD1' ' A' ' 85' ' ' LEU . 14.4 mt-10 -28.83 -61.95 0.12 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 125.815 1.947 . . . . 0.0 109.01 166.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -50.99 -66.8 0.32 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.381 1.446 . . . . 0.0 113.914 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -31.68 72.58 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.97 -1.706 . . . . 0.0 112.551 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 85' ' ' LEU . 3.8 tt -72.48 -62.01 1.59 Allowed 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.332 2.253 . . . . 0.0 109.628 -177.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -58.72 -31.25 68.1 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 128.805 2.842 . . . . 0.0 111.55 177.723 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.01 -56.31 13.84 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.584 1.154 . . . . 0.0 109.021 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.65 81.36 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.661 0.384 . . . . 0.0 110.495 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -55.87 -58.79 6.4 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.91 0.884 . . . . 0.0 110.508 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.83 64.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.758 -172.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 172.93 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.26 5.7 t 60.61 -11.51 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 128.17 2.588 . . . . 0.0 116.131 173.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 m -134.8 145.46 48.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.717 1.144 . . . . 0.0 109.253 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.64 70.06 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 119.58 -0.566 . . . . 0.0 111.982 -169.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.3 ptp -68.06 -20.89 65.01 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -54.1 5.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.48 -33.44 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.352 1.061 . . . . 0.0 109.235 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.81 -56.6 17.66 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.252 1.021 . . . . 0.0 112.684 173.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -35.53 74.8 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.286 0.366 . . . . 0.0 110.44 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -35.37 78.87 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.969 0.508 . . . . 0.0 109.652 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tp -68.62 -45.11 72.78 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 120.587 -1.321 . . . . 0.0 110.228 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.4 t -67.97 -23.25 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.945 0.898 . . . . 0.0 110.52 174.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.73 -30.28 40.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.556 -1.34 . . . . 0.0 111.405 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -78.61 -48.18 15.65 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.524 -1.36 . . . . 0.0 110.558 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 123' ' ' ARG . 71.8 m-85 -128.1 -36.66 1.94 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 117.23 -1.367 . . . . 0.0 113.672 -172.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.55 -121.76 5.21 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 119.468 1.031 . . . . 0.0 111.515 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -118.87 -23.61 6.89 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.639 -1.506 . . . . 0.0 112.045 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -73.74 -90.96 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.283 1.033 . . . . 0.0 108.365 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.457 ' HB3' ' CD2' ' A' ' 119' ' ' TYR . 1.5 mpp_? -59.9 -26.18 65.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.032 -1.042 . . . . 0.0 113.306 -173.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.76 -18.99 58.14 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.493 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.519 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -118.32 -51.96 2.4 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.562 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -45.92 -34.8 4.13 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.147 1.779 . . . . 0.0 114.503 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.03 -39.02 11.88 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 119.926 -1.734 . . . . 0.0 109.867 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 125' ' ' TRP . . . -52.51 -45.44 66.25 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.006 1.722 . . . . 0.0 111.541 174.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -57.8 -48.19 80.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.713 1.205 . . . . 0.0 110.275 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -34.56 64.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.103 0.961 . . . . 0.0 111.444 172.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.1 m -67.59 -27.99 67.38 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.452 -1.405 . . . . 0.0 110.25 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -68.95 -27.6 65.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.334 -0.854 . . . . 0.0 111.017 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.83 -35.81 75.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.317 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -58.77 -43.8 90.48 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.504 1.047 . . . . 0.0 110.226 170.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 50.4 mtp -74.66 -11.19 60.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.67 13.15 63.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.291 0.95 . . . . 0.0 114.539 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 HD12 ' A' ' 140' ' ' LEU 0.663 0.0 OUTLIER -118.5 63.41 0.77 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.886 1.843 . . . . 0.0 114.796 -179.047 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -55.66 -19.55 11.04 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 120.073 -1.642 . . . . 0.0 113.71 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.64 -46.84 5.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 120.387 1.449 . . . . 0.0 113.566 165.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.582 HD12 HD23 ' A' ' 137' ' ' LEU . 58.4 mt -72.05 -41.13 67.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -176.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 39.3 t -57.88 -42.17 84.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.306 1.442 . . . . 0.0 110.861 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.19 -70.28 0.22 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.16 2.184 . . . . 0.0 109.373 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.73 -35.54 61.3 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.63 1.104 . . . . 0.0 111.719 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.93 68.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 117.383 -1.294 . . . . 0.0 113.756 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 120.769 1.622 . . . . 0.0 111.194 178.833 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.35 -107.71 0.73 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.312 1.434 . . . . 0.0 111.695 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -29.53 3.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.327 1.851 . . . . 0.0 113.232 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -37.73 -48.15 1.05 Allowed 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 126.458 1.903 . . . . 0.0 112.367 173.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.04 -25.62 65.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 118.341 -0.838 . . . . 0.0 112.208 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.14 -38.09 66.39 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.539 1.063 . . . . 0.0 111.007 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -61.64 -15.45 39.82 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.252 1.021 . . . . 0.0 110.836 171.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 mt -118.96 13.27 13.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.782 2.033 . . . . 0.0 110.734 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -114.5 -26.74 7.8 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.001 1.72 . . . . 0.0 109.375 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -57.55 -31.1 65.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.871 0.468 . . . . 0.0 110.634 178.267 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.71 159.71 21.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.421 1.888 . . . . 0.0 109.659 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -124.46 -171.49 2.35 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.504 1.922 . . . . 0.0 107.216 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -11.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 126.451 1.9 . . . . 0.0 115.902 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -37.39 -55.87 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 125.658 1.583 . . . . 0.0 112.218 156.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -144.31 -18.33 0.56 Allowed 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 124.731 1.212 . . . . 0.0 110.936 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 tp -55.57 -34.83 65.13 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 119.471 -2.018 . . . . 0.0 111.29 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -62.64 1.7 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.451 1.9 . . . . 0.0 110.907 164.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.0 -34.44 42.72 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.624 1.102 . . . . 0.0 110.285 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -58.47 -60.05 4.41 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.35 0.977 . . . . 0.0 110.931 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -64.23 -14.49 55.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.001 0.819 . . . . 0.0 112.908 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -86.9 -61.74 1.66 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.816 1.246 . . . . 0.0 108.939 178.86 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.87 -21.01 62.83 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.944 1.298 . . . . 0.0 110.186 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.579 HD21 HD21 ' A' ' 115' ' ' LEU . 12.3 tp -58.22 -61.38 2.61 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.23 1.412 . . . . 0.0 108.991 173.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.41 -21.3 66.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -72.64 -25.66 61.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.306 1.042 . . . . 0.0 112.268 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -86.26 -41.49 14.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.241 166.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.865 0.841 . . . . 0.0 112.797 -172.402 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.269 14.0 t -140.07 73.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -140.36 136.78 33.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.52 -54.76 30.68 Favored Glycine 0 CA--C 1.524 0.598 0 O-C-N 123.691 0.62 . . . . 0.0 111.913 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -17.19 64.55 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.037 1.335 . . . . 0.0 113.614 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -87.64 -60.34 2.0 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.4 t -54.41 -27.53 17.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.861 0.864 . . . . 0.0 109.269 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.76 -57.3 11.41 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.927 1.291 . . . . 0.0 114.224 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.9 t -55.17 -38.29 68.11 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.223 0.609 . . . . 0.0 109.793 174.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.32 -47.25 57.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.625 1.17 . . . . 0.0 109.721 -171.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.579 HD21 HD21 ' A' ' 86' ' ' LEU . 7.9 mt -60.71 -48.92 79.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 119.186 0.903 . . . . 0.0 110.445 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -38.19 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.836 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.19 71.69 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.867 0.758 . . . . 0.0 110.941 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -68.26 -60.68 2.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.496 1.118 . . . . 0.0 111.607 -172.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -93.92 -19.24 21.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.247 -166.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.42 168.51 44.29 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -161.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.05 -29.04 67.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -160.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.14 -71.06 0.19 Allowed 'General case' 0 C--N 1.343 0.323 0 CA-C-N 120.201 1.364 . . . . 0.0 110.524 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -59.04 -25.42 63.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.111 1.364 . . . . 0.0 110.375 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.57 -13.02 18.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.467 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -121.08 -50.46 2.15 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 124.139 0.975 . . . . 0.0 110.216 161.075 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -55.85 -21.69 21.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 129.651 3.18 . . . . 0.0 115.546 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -48.23 4.75 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.059 1.344 . . . . 0.0 108.252 169.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.5 -46.59 13.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.249 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -57.58 -42.77 83.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 125.331 1.452 . . . . 0.0 111.547 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.09 -44.59 97.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.7 m -58.71 -22.36 57.23 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.79 -0.569 . . . . 0.0 111.965 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.406 ' CZ2' HD12 ' A' ' 140' ' ' LEU . 7.3 m0 -72.86 -29.71 63.41 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.809 -1.182 . . . . 0.0 112.376 173.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -30.57 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.739 0.7 . . . . 0.0 110.293 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -83.6 -29.71 27.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.579 1.552 . . . . 0.0 112.177 175.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.91 -33.36 75.43 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.949 1.25 . . . . 0.0 112.11 170.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 114.12 -1.81 24.05 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 117.796 -1.558 . . . . 0.0 114.136 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.428 ' HB3' HD23 ' A' ' 140' ' ' LEU . 16.1 mt -101.9 86.15 2.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 119.363 1.581 . . . . 0.0 109.001 -154.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -46.95 87.77 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 t -59.52 -37.14 77.57 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.547 0.739 . . . . 0.0 110.769 -173.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.443 HD21 ' CE2' ' A' ' 73' ' ' PHE . 1.9 mm? -64.0 -51.11 65.81 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.63 0.772 . . . . 0.0 109.454 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.81 -45.92 91.76 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.067 0.547 . . . . 0.0 110.721 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.74 64.25 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.572 1.149 . . . . 0.0 109.221 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -63.06 -11.07 16.98 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.693 -1.255 . . . . 0.0 112.741 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -96.74 -5.59 38.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.524 -1.36 . . . . 0.0 113.379 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 CA--C 1.535 0.39 0 C-N-CA 126.223 1.809 . . . . 0.0 109.946 -175.851 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.2 -107.4 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.5 mmt-85 -61.86 -8.95 5.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.612 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' A' ' 125' ' ' TRP . 6.6 mt -42.07 -55.7 3.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.567 1.147 . . . . 0.0 109.968 166.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.87 0.45 7.24 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 8.3 t -93.31 -46.55 7.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.169 1.388 . . . . 0.0 109.33 167.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.402 ' HB3' HD12 ' A' ' 140' ' ' LEU . 16.3 m-85 -61.32 -46.51 89.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.784 0.834 . . . . 0.0 109.738 176.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.11 6.77 2.51 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.719 1.208 . . . . 0.0 112.026 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.46 17.09 6.49 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.528 2.731 . . . . 0.0 108.681 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -79.81 -60.31 2.4 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 151.494 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 122.094 0.949 . . . . 0.0 112.362 -169.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -131.63 -161.25 1.11 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.646 1.578 . . . . 0.0 109.729 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' H ' ' HD2' ' A' ' 76' ' ' LYS . 7.4 mptt -59.3 -21.17 59.28 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.867 1.212 . . . . 0.0 111.901 -172.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -45.62 -58.36 3.48 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.508 1.123 . . . . 0.0 109.531 167.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -124.53 -31.7 3.21 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.28 0.632 . . . . 0.0 110.274 -156.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -57.46 -42.01 81.71 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -47.42 60.11 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 116.823 -1.56 . . . . 0.0 109.171 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.86 -54.38 29.79 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.852 1.206 . . . . 0.0 109.379 170.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.02 -12.11 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -44.5 14.46 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.577 1.08 . . . . 0.0 108.29 169.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.59 -54.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.168 1.787 . . . . 0.0 110.262 -170.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.15 -22.62 63.09 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.267 1.027 . . . . 0.0 110.489 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -59.38 3.76 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.636 1.575 . . . . 0.0 107.784 173.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.3 72.84 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.0 0.364 . . . . 0.0 110.401 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.56 -42.28 99.44 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.303 1.041 . . . . 0.0 109.783 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -62.59 -76.53 0.06 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.673 1.189 . . . . 0.0 108.777 173.087 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 127.805 2.442 . . . . 0.0 113.229 -166.541 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.286 0.089 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -139.02 -21.09 0.96 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.11 161.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m -124.92 150.11 46.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.94 1.245 . . . . 0.0 111.032 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.35 -21.2 68.27 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.941 1.257 . . . . 0.0 113.679 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.1 ptp -62.33 -30.47 71.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.611 0.705 . . . . 0.0 112.719 168.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -22.1 14.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.579 0.627 . . . . 0.0 110.968 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.92 -35.5 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 O-C-N 120.974 -1.079 . . . . 0.0 110.118 168.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.99 77.4 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.48 80.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.206 0.603 . . . . 0.0 111.128 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -44.38 87.36 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.586 0.754 . . . . 0.0 109.169 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.71 -38.65 80.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.751 -1.218 . . . . 0.0 112.046 -173.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.72 -28.33 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 118.527 0.603 . . . . 0.0 109.668 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.89 -48.3 59.22 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.731 1.15 . . . . 0.0 110.657 169.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -59.89 -42.88 94.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 112.579 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -138.23 -8.06 1.54 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.44 161.04 10.96 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-N 120.763 1.62 . . . . 0.0 110.83 -164.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.63 -23.25 64.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.509 1.524 . . . . 0.0 114.477 -166.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -57.9 -75.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.582 1.153 . . . . 0.0 109.842 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -28.27 67.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.48 -173.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.93 47.93 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.531 -0.747 . . . . 0.0 112.585 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.67 ' CD1' HD11 ' A' ' 129' ' ' LEU . 2.0 t-105 -115.94 -42.53 3.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.195 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.08 -42.75 39.89 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.188 -1.57 . . . . 0.0 112.318 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -36.88 46.7 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.49 0.662 . . . . 0.0 110.896 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.26 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.544 1.938 . . . . 0.0 111.798 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.67 HD11 ' CD1' ' A' ' 125' ' ' TRP . 4.5 mt -56.11 -43.94 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 126.074 1.75 . . . . 0.0 109.915 -175.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -61.91 -41.37 97.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.219 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.1 m -57.35 -22.58 43.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 111.183 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -75.88 -14.34 60.27 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.356 -1.465 . . . . 0.0 112.897 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.27 -22.8 61.16 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.722 1.147 . . . . 0.0 111.437 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.92 -58.27 6.59 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 167.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 26.2 mtp -81.03 -17.58 49.75 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -162.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.23 13.0 29.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 120.01 1.277 . . . . 0.0 114.696 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.421 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.3 mm? -97.76 64.48 1.77 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 120.966 -1.314 . . . . 0.0 110.94 -168.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -59.26 -48.27 82.26 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 m -63.92 -15.46 59.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.422 HD11 ' CD2' ' A' ' 73' ' ' PHE . 3.9 mm? -77.9 -50.13 12.82 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.881 1.218 . . . . 0.0 109.372 169.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.9 -32.17 70.51 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.768 0.827 . . . . 0.0 111.392 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.51 -72.13 0.14 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 108.471 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -45.68 -45.07 13.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.935 1.294 . . . . 0.0 113.357 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.37 -22.38 4.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.397 1.479 . . . . 0.0 114.074 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 128.039 2.536 . . . . 0.0 110.454 -168.049 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 -90.9 0.3 Allowed Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 163.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.31 -10.85 26.75 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.153 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tp -50.36 -49.38 54.36 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.191 1.359 . . . . 0.0 110.045 163.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.0 66.51 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.99 -39.58 92.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.227 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -72.64 0.47 10.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.835 1.254 . . . . 0.0 113.306 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.46 16.09 14.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.061 0.846 . . . . 0.0 111.689 -171.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.08 -18.46 10.05 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.831 0.852 . . . . 0.0 112.23 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -68.19 -45.25 73.92 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 170.681 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.97 156.31 26.01 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.041 1.401 . . . . 0.0 110.523 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -126.33 -177.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 126.208 1.803 . . . . 0.0 107.63 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.9 -16.24 16.63 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.974 -165.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.91 -61.1 2.23 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 119.594 1.088 . . . . 0.0 109.655 165.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.39 -31.69 10.81 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.662 0.785 . . . . 0.0 110.501 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.0 -40.94 81.99 Favored 'General case' 0 C--N 1.338 0.085 0 O-C-N 120.82 -1.175 . . . . 0.0 109.23 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -69.76 -51.25 35.69 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.32 -46.07 69.3 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 118.95 0.796 . . . . 0.0 110.932 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CE2' ' HB ' ' A' ' 131' ' ' THR . 31.0 t80 -53.95 -56.05 21.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 119.587 1.085 . . . . 0.0 111.503 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -63.07 -33.71 76.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.395 0.678 . . . . 0.0 112.177 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.66 -61.24 1.86 Allowed 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.114 -1.616 . . . . 0.0 108.682 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.5 mt -57.17 -49.01 77.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.003 2.121 . . . . 0.0 109.913 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 86' ' ' LEU . 5.5 tt -59.74 -50.87 72.16 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.048 1.295 . . . . 0.0 109.907 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.95 69.7 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.387 -0.821 . . . . 0.0 111.799 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -66.5 -47.6 72.46 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.452 1.024 . . . . 0.0 109.866 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HG3' ' CE1' ' A' ' 130' ' ' HIS . 7.9 tmtt? -50.57 -57.55 7.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.954 2.102 . . . . 0.0 110.171 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.51 1.124 . . . . 0.0 112.584 -178.937 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 pttt . . . . . 0 CA--C 1.516 -0.334 0 CA-C-O 121.214 0.53 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.411 0.0 OUTLIER 65.6 -26.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 129.973 3.309 . . . . 0.0 114.152 176.817 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.41 137.42 32.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 169.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.27 -56.94 14.78 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 124.66 1.124 . . . . 0.0 112.536 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 ptp -60.49 -30.82 69.95 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -29.27 64.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.145 0.884 . . . . 0.0 110.882 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.03 -24.96 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 121.546 -0.721 . . . . 0.0 109.793 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.37 -48.84 71.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.786 1.175 . . . . 0.0 110.112 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.4 m -55.77 -31.18 62.36 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.602 0.761 . . . . 0.0 111.742 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -46.63 13.7 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.297 0.953 . . . . 0.0 111.745 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.3 mt -68.44 -44.02 75.8 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.703 1.138 . . . . 0.0 111.398 -171.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.66 -28.33 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 118.701 0.682 . . . . 0.0 109.756 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.76 -12.6 59.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -90.31 -46.21 8.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.523 1.056 . . . . 0.0 110.407 167.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -120.28 -16.73 8.41 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -156.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.52 172.72 3.04 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-O 123.286 1.492 . . . . 0.0 111.063 -164.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -12.91 1.21 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.616 2.366 . . . . 0.0 114.362 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -75.21 -87.99 0.03 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 120.345 1.43 . . . . 0.0 110.136 167.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -67.44 -15.9 63.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.408 -169.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.64 -11.07 14.72 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 121.068 1.758 . . . . 0.0 112.554 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -51.83 2.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 123.359 0.664 . . . . 0.0 110.636 164.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -35.81 62.82 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -169.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.98 -48.89 11.64 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.18 59.37 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.962 1.305 . . . . 0.0 112.347 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.86 -49.18 20.62 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.75 2.02 . . . . 0.0 111.917 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.428 ' CE1' ' HG3' ' A' ' 89' ' ' LYS . 0.1 OUTLIER -57.18 -36.0 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.913 -0.492 . . . . 0.0 110.857 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.414 ' HB ' ' CE2' ' A' ' 82' ' ' PHE . 30.7 m -68.26 -21.46 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.22 -0.925 . . . . 0.0 110.411 -168.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -67.12 -35.54 79.99 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.752 -0.593 . . . . 0.0 111.242 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.87 -43.86 97.67 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -48.07 83.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.388 1.475 . . . . 0.0 111.595 177.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.416 ' HB3' HD23 ' A' ' 137' ' ' LEU . 9.3 mtm -76.05 -10.28 59.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.099 0.863 . . . . 0.0 112.995 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.41 88.84 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.345 -1.253 . . . . 0.0 114.72 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 135' ' ' MET . 4.4 mm? -79.01 83.2 5.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.866 1.833 . . . . 0.0 109.682 -170.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -63.33 -48.28 78.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.553 -174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -32.39 72.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.449 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 73' ' ' PHE . 89.3 mt -62.15 -48.56 79.54 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.683 1.583 . . . . 0.0 110.416 173.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -34.49 75.6 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.571 0.349 . . . . 0.0 110.719 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.29 50.81 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.522 1.129 . . . . 0.0 108.916 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -59.93 -25.48 65.2 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.079 1.352 . . . . 0.0 111.928 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.65 60.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.483 1.113 . . . . 0.0 113.551 172.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 CA--C 1.539 0.556 0 CA-C-N 120.591 1.542 . . . . 0.0 112.302 -169.07 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.61 -107.39 2.19 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 171.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.71 -18.5 65.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 117.058 -1.448 . . . . 0.0 112.16 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.45 -44.11 62.28 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 110.626 -169.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.6 -38.37 45.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.576 1.55 . . . . 0.0 113.292 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.61 -43.78 93.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.735 1.214 . . . . 0.0 110.939 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -66.02 -26.31 67.47 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.196 -0.94 . . . . 0.0 110.668 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.7 mt -93.66 8.93 38.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.677 1.991 . . . . 0.0 111.687 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -112.12 -19.69 12.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.137 1.375 . . . . 0.0 111.786 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -53.87 39.64 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -82.37 151.62 26.58 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.539 1.135 . . . . 0.0 109.817 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -119.63 -176.91 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 125.803 1.641 . . . . 0.0 108.376 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -37.05 0.66 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.595 1.558 . . . . 0.0 114.676 -174.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -25.22 -63.63 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.276 2.63 . . . . 0.0 112.149 164.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -120.22 -17.79 8.19 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.568 1.076 . . . . 0.0 111.504 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.83 -20.71 62.21 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.688 -1.258 . . . . 0.0 111.48 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -55.62 5.76 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 117.039 -1.457 . . . . 0.0 111.564 164.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -52.94 -48.04 67.62 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.144 0.884 . . . . 0.0 109.463 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.424 ' CE2' ' HB ' ' A' ' 131' ' ' THR . 52.7 t80 -51.37 -60.54 3.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.134 0.425 . . . . 0.0 112.146 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.49 -26.15 65.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.853 0.751 . . . . 0.0 112.372 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -54.96 4.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.728 1.211 . . . . 0.0 110.047 -177.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.99 -28.56 62.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.37 0.668 . . . . 0.0 109.326 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 127' ' ' LEU . 7.8 tt -69.35 -53.35 19.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.78 95.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.772 0.429 . . . . 0.0 110.626 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.09 -37.11 83.81 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.864 0.302 . . . . 0.0 110.589 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 130' ' ' HIS . 15.3 tppt? -68.92 -46.0 69.42 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.952 1.301 . . . . 0.0 109.894 175.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 123.704 0.802 . . . . 0.0 113.113 -176.032 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -145.29 17.98 1.54 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -175.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.7 m -116.74 139.35 50.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.068 -1.645 . . . . 0.0 110.899 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -44.71 -54.24 6.77 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 126.829 2.157 . . . . 0.0 113.942 -166.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.4 ptm -65.16 -27.69 68.89 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.684 0.742 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.9 -28.4 22.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.437 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.7 t -68.05 -36.53 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 120.342 1.428 . . . . 0.0 107.203 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.91 40.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 112.719 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -61.79 -24.89 67.14 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.394 -0.816 . . . . 0.0 112.335 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -77.81 -37.47 48.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.852 1.261 . . . . 0.0 110.662 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.12 -39.94 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 119.942 -1.724 . . . . 0.0 111.049 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.27 -26.37 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 121.891 -0.505 . . . . 0.0 110.221 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.94 68.82 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.303 -0.873 . . . . 0.0 110.309 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.1 -46.56 90.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.634 0.774 . . . . 0.0 110.764 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -123.45 -64.0 1.19 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.06 173.15 14.31 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 -160.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -50.59 15.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.325 1.85 . . . . 0.0 111.436 -167.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.25 -72.24 0.08 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.483 1.113 . . . . 0.0 111.344 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -71.53 -22.43 61.77 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.122 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.71 -17.5 63.07 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.106 1.321 . . . . 0.0 111.025 172.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -111.76 -50.6 2.91 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 119.428 1.013 . . . . 0.0 112.669 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -50.68 -47.68 58.77 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.752 1.615 . . . . 0.0 111.903 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 86' ' ' LEU . 1.4 tt -70.7 -33.91 71.38 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -175.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.53 -46.19 76.97 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 118.696 -0.669 . . . . 0.0 111.015 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -48.27 70.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 124.614 1.166 . . . . 0.0 110.334 175.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.419 ' NE2' ' HE3' ' A' ' 89' ' ' LYS . 36.0 t60 -53.32 -51.73 61.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.846 0.748 . . . . 0.0 110.543 171.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.424 ' HB ' ' CE2' ' A' ' 82' ' ' PHE . 28.8 m -65.28 -26.46 68.09 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.537 -0.727 . . . . 0.0 110.932 -169.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -66.65 -33.63 76.08 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.098 -1.001 . . . . 0.0 111.246 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -19.06 65.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 124.353 1.061 . . . . 0.0 111.32 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.22 -17.69 51.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.692 1.197 . . . . 0.0 111.597 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 31.9 mtp -111.66 -11.08 14.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.396 1.079 . . . . 0.0 112.163 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.85 28.04 57.5 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.653 -1.082 . . . . 0.0 113.208 176.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.07 81.68 5.59 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.255 2.027 . . . . 0.0 109.898 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -54.44 -45.27 73.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 117.531 -1.223 . . . . 0.0 112.587 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.6 p -62.53 -27.89 69.47 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.965 1.257 . . . . 0.0 111.79 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 37.5 mt -68.56 -55.35 11.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.732 0.696 . . . . 0.0 109.348 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.74 -44.74 81.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.172 0.442 . . . . 0.0 111.606 176.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.5 -61.0 2.74 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.1 1.36 . . . . 0.0 109.32 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -56.07 -38.19 70.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 120.091 1.314 . . . . 0.0 111.155 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.98 5.93 0.59 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.527 1.131 . . . . 0.0 114.026 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 . . . . . 0 N--CA 1.469 0.509 0 C-N-CA 126.477 1.911 . . . . 0.0 112.243 176.08 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.78 -94.92 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -59.98 -22.15 62.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.716 0.807 . . . . 0.0 112.162 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -43.74 -49.63 7.9 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 125.496 1.518 . . . . 0.0 110.361 172.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.81 -28.97 67.91 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 117.357 -1.306 . . . . 0.0 111.485 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.3 t -58.88 -57.06 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 121.364 1.893 . . . . 0.0 109.989 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -60.92 -15.79 34.97 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.25 1.02 . . . . 0.0 111.983 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.94 1.57 22.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.503 2.321 . . . . 0.0 111.613 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -107.6 -17.56 14.07 Favored 'General case' 0 C--O 1.23 0.079 0 C-N-CA 126.058 1.743 . . . . 0.0 110.391 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -70.97 -32.44 69.29 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.474 1.034 . . . . 0.0 111.567 179.322 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -102.74 160.39 14.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.588 1.555 . . . . 0.0 111.244 -175.204 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -124.14 -170.6 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -30.63 39.67 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.864 -166.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -27.2 -54.39 0.08 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.941 2.496 . . . . 0.0 111.499 167.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.401 ' CB ' HD12 ' A' ' 74' ' ' LEU . 35.8 mm-40 -123.46 -31.17 3.55 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.267 1.427 . . . . 0.0 109.853 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.91 -36.54 77.21 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 119.67 -1.894 . . . . 0.0 112.376 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -64.01 -47.17 81.33 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.011 175.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.71 -48.38 81.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.601 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -47.23 -60.61 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.411 1.084 . . . . 0.0 110.659 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -20.57 65.24 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -51.73 4.95 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.362 1.065 . . . . 0.0 111.071 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.45 -27.62 62.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.215 1.406 . . . . 0.0 109.376 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.22 -55.08 15.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.264 1.426 . . . . 0.0 109.943 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.01 64.25 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.016 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -79.61 -42.66 24.46 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.336 1.054 . . . . 0.0 110.685 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HE3' ' CE1' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -53.09 -48.67 67.59 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 125.185 1.394 . . . . 0.0 110.194 175.268 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 123.654 0.781 . . . . 0.0 109.058 167.906 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.514 -0.408 0 CA-C-O 120.643 0.258 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.284 0.7 OUTLIER -144.3 -53.34 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 160.636 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -129.88 154.92 46.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.84 0.712 . . . . 0.0 109.297 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.52 88.29 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.563 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.4 ptp -60.42 -36.44 78.18 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.908 1.354 . . . . 0.0 112.33 175.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.85 -39.25 18.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.328 1.051 . . . . 0.0 109.949 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -28.15 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 167.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.52 67.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.95 0.795 . . . . 0.0 111.801 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -42.34 69.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.849 0.86 . . . . 0.0 110.832 174.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -38.25 87.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -89.41 -35.21 16.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.802 -0.618 . . . . 0.0 112.404 -170.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.81 -26.36 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.187 0.903 . . . . 0.0 109.214 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.56 74.01 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.285 0.948 . . . . 0.0 111.471 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -60.66 -48.26 82.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.671 0.788 . . . . 0.0 111.442 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -113.36 -73.28 0.67 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.988 0.915 . . . . 0.0 110.777 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.89 7.85 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 106.559 -2.617 . . . . 0.0 106.559 -160.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -16.02 59.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.689 1.744 . . . . 0.0 113.952 -165.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -54.99 -83.84 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.566 1.546 . . . . 0.0 109.066 166.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -22.55 60.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 121.458 -0.777 . . . . 0.0 111.872 -173.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -18.44 65.32 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.518 1.054 . . . . 0.0 111.152 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.405 ' HE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -106.19 -59.09 1.83 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 116.978 -1.486 . . . . 0.0 110.288 171.679 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -44.53 -45.3 9.25 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.098 1.772 . . . . 0.0 113.81 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.15 -35.68 59.1 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.047 1.403 . . . . 0.0 109.466 -173.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.18 -26.47 56.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.722 2.009 . . . . 0.0 112.214 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.44 -62.37 1.91 Allowed 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.419 ' CE1' ' HE3' ' A' ' 89' ' ' LYS . 8.2 t-80 -46.5 -41.94 14.87 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 124.208 0.943 . . . . 0.0 111.069 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.5 m -56.65 -14.38 3.2 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.714 1.206 . . . . 0.0 113.457 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.401 ' CD1' ' C ' ' A' ' 132' ' ' TRP . 0.5 OUTLIER -52.25 -35.0 48.65 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.806 1.185 . . . . 0.0 111.297 170.216 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -31.87 73.15 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 126.013 1.725 . . . . 0.0 110.095 -170.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -78.95 -32.9 45.65 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.382 1.073 . . . . 0.0 111.544 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.415 ' HE2' HD11 ' A' ' 137' ' ' LEU . 83.4 mtp -85.88 -32.78 21.48 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.759 -1.213 . . . . 0.0 112.902 -178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.63 -21.67 36.07 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.86 1.695 . . . . 0.0 113.523 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.415 HD11 ' HE2' ' A' ' 135' ' ' MET 0.575 0.0 OUTLIER -79.13 63.75 3.86 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.188 1.494 . . . . 0.0 114.534 -178.82 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.14 -58.44 7.65 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.528 -1.225 . . . . 0.0 112.017 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -41.33 62.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.61 1.164 . . . . 0.0 111.159 -170.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.652 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -41.24 -61.84 0.95 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 128.284 2.634 . . . . 0.0 111.801 174.803 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 95.2 m -91.23 -39.06 12.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 112.375 -2.193 . . . . 0.0 107.397 -163.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.77 -55.29 6.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.008 0.923 . . . . 0.0 108.802 167.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -54.83 -19.85 7.4 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.405 ' HB1' ' HE1' ' A' ' 125' ' ' TRP . . . -67.22 -12.83 61.1 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.581 -1.324 . . . . 0.0 113.447 172.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 127.101 2.161 . . . . 0.0 111.482 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.87 -94.13 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 174.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -47.56 -30.21 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 127.104 2.162 . . . . 0.0 114.596 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.76 -28.48 56.2 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.838 0.855 . . . . 0.0 111.57 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.97 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.568 -0.73 . . . . 0.0 111.001 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 91.7 m -60.6 -38.05 83.4 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.687 0.676 . . . . 0.0 110.569 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.16 -48.07 77.43 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -78.74 15.49 1.04 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.955 1.302 . . . . 0.0 113.399 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.32 -15.78 9.7 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.877 1.271 . . . . 0.0 110.914 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CE1' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -60.4 -50.25 74.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.986 -1.071 . . . . 0.0 108.803 174.481 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.96 166.06 20.18 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 127.988 2.515 . . . . 0.0 109.945 170.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -132.54 -163.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 126.309 1.843 . . . . 0.0 106.17 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -62.56 -2.34 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.59 -48.05 39.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.488 1.04 . . . . 0.0 110.567 157.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.68 -16.32 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.766 1.166 . . . . 0.0 112.155 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.6 tp -49.17 -43.51 42.07 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.665 1.575 . . . . 0.0 110.734 169.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -61.8 -54.57 40.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.998 1.319 . . . . 0.0 108.66 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.41 -48.81 71.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.918 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.75 -48.39 81.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.28 0.945 . . . . 0.0 110.386 -177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.9 -37.51 79.6 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.023 -1.048 . . . . 0.0 111.348 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.418 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -83.68 -47.06 11.61 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.857 0.863 . . . . 0.0 112.508 -172.129 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.56 -26.54 68.63 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 116.636 -1.65 . . . . 0.0 108.116 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 86' ' ' LEU . 5.3 tt -72.67 -50.78 22.71 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.21 1.368 . . . . 0.0 108.051 175.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.33 64.02 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.564 0.62 . . . . 0.0 110.958 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -71.43 -46.75 59.3 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.53 -0.731 . . . . 0.0 111.133 172.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -52.31 20.91 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.386 1.474 . . . . 0.0 110.308 176.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 128.949 2.9 . . . . 0.0 111.472 -175.093 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.7 mptt . . . . . 0 N--CA 1.462 0.155 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 t -147.26 29.08 0.97 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.007 0.432 . . . . 0.0 111.858 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -116.82 139.26 50.8 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 161.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.63 -46.1 38.29 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 119.082 0.856 . . . . 0.0 111.926 172.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.21 -38.35 79.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.04 0.92 . . . . 0.0 112.965 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -87.34 -27.1 23.03 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.388 -0.82 . . . . 0.0 110.938 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.06 -45.19 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 163.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.47 -47.72 81.12 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.976 1.262 . . . . 0.0 112.062 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -36.12 71.33 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.071 0.548 . . . . 0.0 112.04 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.58 73.1 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 123.821 0.849 . . . . 0.0 108.796 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 tp -72.01 -39.31 69.3 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.918 -169.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.11 -43.24 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.167 0.894 . . . . 0.0 109.692 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.83 81.71 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.298 0.953 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -67.15 -60.23 2.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.323 1.449 . . . . 0.0 111.245 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -112.47 -13.57 13.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -159.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.02 157.12 4.79 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.615 1.102 . . . . 0.0 110.929 -169.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -15.01 16.02 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.573 1.949 . . . . 0.0 115.094 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -65.49 -83.47 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.293 1.037 . . . . 0.0 108.405 165.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -65.69 -22.88 66.66 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.412 -0.805 . . . . 0.0 111.648 -172.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.75 -5.82 6.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.221 0.919 . . . . 0.0 113.249 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.66 -47.93 2.3 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.074 0.852 . . . . 0.0 109.904 154.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -34.81 40.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -171.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.35 -39.29 12.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.938 1.695 . . . . 0.0 109.881 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -40.79 63.23 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.705 -0.622 . . . . 0.0 111.411 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -47.29 85.8 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.975 174.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 15.3 t60 -51.7 -43.78 62.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.888 1.676 . . . . 0.0 110.603 174.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.7 m -62.62 -22.2 66.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.87 0.868 . . . . 0.0 111.704 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.523 ' CD2' ' HB2' ' A' ' 141' ' ' CYS . 0.0 OUTLIER -58.19 -45.12 88.13 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 176.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.79 72.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.204 1.002 . . . . 0.0 109.78 -166.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.01 -48.26 80.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.732 2.013 . . . . 0.0 110.734 174.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 9.7 mtm -83.18 -31.09 27.3 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.428 1.013 . . . . 0.0 112.443 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.83 18.09 52.18 Favored Glycine 0 CA--C 1.532 1.149 0 O-C-N 121.39 -0.819 . . . . 0.0 114.587 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.539 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.0 mm? -79.87 81.44 6.13 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.202 1.501 . . . . 0.0 109.772 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -45.62 -49.53 14.15 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.411 1.084 . . . . 0.0 112.147 -174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.3 m -59.55 -25.05 64.22 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 137' ' ' LEU . 3.0 mm? -72.38 -47.27 50.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 119.927 1.239 . . . . 0.0 109.226 -176.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 132' ' ' TRP . 22.5 t -69.25 -41.23 77.2 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.074 0.549 . . . . 0.0 111.168 175.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.08 -61.87 2.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.694 0.797 . . . . 0.0 109.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -60.29 -23.56 64.26 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 119.864 1.211 . . . . 0.0 112.663 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.32 -10.07 57.92 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.711 1.596 . . . . 0.0 112.088 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 125.116 1.366 . . . . 0.0 110.986 -167.115 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.44 -0.954 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.0 -103.14 0.25 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -75.77 -12.68 60.23 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.832 1.253 . . . . 0.0 113.715 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.401 HD13 ' CZ3' ' A' ' 125' ' ' TRP . 19.6 tp -45.45 -48.7 13.82 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.074 1.75 . . . . 0.0 111.106 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.45 54.23 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.538 1.063 . . . . 0.0 113.269 -177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -38.3 73.79 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.413 1.006 . . . . 0.0 110.032 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -68.36 -8.74 42.73 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.059 0.944 . . . . 0.0 111.869 171.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.9 mt -120.85 9.39 10.66 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 119.924 1.238 . . . . 0.0 112.067 -173.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -7.87 10.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.503 1.047 . . . . 0.0 113.104 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CZ ' HD21 ' A' ' 140' ' ' LEU . 17.4 p90 -61.08 -24.07 65.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.949 0.5 . . . . 0.0 111.48 171.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.502 HD23 ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -113.26 167.99 10.1 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 128.958 2.903 . . . . 0.0 109.796 176.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -130.32 179.5 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.346 1.858 . . . . 0.0 107.238 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -38.47 0.99 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.269 1.428 . . . . 0.0 114.37 -169.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -25.73 -68.79 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.068 2.547 . . . . 0.0 112.311 164.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -106.85 -26.62 11.16 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.899 1.68 . . . . 0.0 109.017 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.412 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.0 tm? -60.9 -37.82 83.54 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.606 1.548 . . . . 0.0 112.181 177.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.48 -34.63 25.32 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.559 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.25 -46.48 72.63 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.958 1.253 . . . . 0.0 109.166 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -69.1 -15.56 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 119.934 -1.729 . . . . 0.0 114.149 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -84.86 -48.58 9.2 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.961 1.71 . . . . 0.0 109.353 162.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -43.69 81.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.439 -0.788 . . . . 0.0 111.462 -166.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 134' ' ' GLN . 73.0 mt -70.82 -21.37 62.47 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.577 1.551 . . . . 0.0 109.552 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.07 31.36 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 171.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.78 -16.45 63.81 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.281 0.632 . . . . 0.0 112.395 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -75.4 -46.65 31.58 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.252 1.021 . . . . 0.0 109.914 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -66.18 -36.57 83.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.138 -0.976 . . . . 0.0 109.809 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.503 0 C-N-CA 124.338 1.055 . . . . 0.0 109.594 -178.494 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.1 t -138.54 -2.82 1.74 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.452 1.501 . . . . 0.0 111.559 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.13 151.57 45.57 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 120.387 -1.446 . . . . 0.0 111.859 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.65 -42.46 97.27 Favored Glycine 0 C--O 1.226 -0.382 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 ptp -58.29 -21.16 47.92 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.35 -27.47 9.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.037 1.335 . . . . 0.0 110.879 -172.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.51 -39.14 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 162.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.05 -57.97 9.55 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.242 1.017 . . . . 0.0 112.279 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.8 p -64.54 -20.81 66.45 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -46.19 42.61 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.871 1.268 . . . . 0.0 109.221 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.38 -43.25 81.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.347 -0.846 . . . . 0.0 110.855 -171.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.6 t -66.35 -12.49 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.825 0.85 . . . . 0.0 110.815 174.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -103.45 -2.4 26.95 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.246 1.418 . . . . 0.0 112.503 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -107.63 -34.04 7.12 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.201 1.4 . . . . 0.0 110.337 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.403 ' CG ' ' HB2' ' A' ' 123' ' ' ARG . 90.0 m-85 -123.83 -26.22 4.14 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -176.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.02 177.14 7.22 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-O 123.011 1.34 . . . . 0.0 110.124 -153.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.91 -19.82 65.38 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -161.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -61.08 -78.5 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.223 1.374 . . . . 0.0 110.125 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HB2' ' CG ' ' A' ' 119' ' ' TYR . 16.6 mmm180 -65.68 -28.51 69.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.932 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.13 -13.76 40.63 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.453 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.401 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 1.5 t-105 -113.83 -50.22 2.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 120.1 1.318 . . . . 0.0 110.997 164.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -48.04 -46.29 33.1 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.787 1.63 . . . . 0.0 112.324 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tt -76.3 -36.3 58.41 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.64 -1.287 . . . . 0.0 108.719 -177.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.21 99.38 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.261 -0.899 . . . . 0.0 110.433 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.9 -51.74 67.91 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.553 1.541 . . . . 0.0 108.696 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -54.94 -41.91 71.63 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.317 0.962 . . . . 0.0 112.003 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.2 m -62.84 -22.5 66.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.593 1.088 . . . . 0.0 111.06 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.4 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.65 -0.656 . . . . 0.0 110.429 173.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.7 -30.29 67.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.124 0.57 . . . . 0.0 110.323 -167.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.467 ' CG ' HD13 ' A' ' 85' ' ' LEU . 36.6 tp60 -69.24 -63.01 1.15 Allowed 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 127.234 2.214 . . . . 0.0 110.192 167.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.2 mtm -67.52 -23.16 65.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.41 8.19 64.48 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 120.027 1.285 . . . . 0.0 115.288 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.7 82.42 4.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.952 1.876 . . . . 0.0 111.329 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -41.9 96.05 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 120.939 -1.1 . . . . 0.0 111.896 -172.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -47.24 15.36 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.961 1.304 . . . . 0.0 110.616 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.547 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 4.6 mm? -67.43 -55.88 11.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.585 1.154 . . . . 0.0 109.796 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 10.3 t -60.51 -38.34 84.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.71 -67.73 0.33 Allowed 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 124.2 0.938 . . . . 0.0 108.616 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -59.02 -31.37 68.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.048 0.939 . . . . 0.0 112.282 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.84 -8.22 10.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.059 2.143 . . . . 0.0 114.226 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 125.361 1.464 . . . . 0.0 107.971 -174.477 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.7 p-90 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.04 -90.78 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -51.74 -34.07 37.55 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.544 1.172 . . . . 0.0 113.379 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.6 pp -52.13 -28.48 18.07 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.61 -15.64 61.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.508 1.049 . . . . 0.0 112.537 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.9 m -76.4 -40.13 51.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.307 0.958 . . . . 0.0 111.054 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -56.93 -35.28 68.87 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 mp -80.66 13.18 2.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.989 2.116 . . . . 0.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -138.14 -4.17 1.73 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.064 2.146 . . . . 0.0 110.399 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -45.94 85.73 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.371 -1.456 . . . . 0.0 108.182 164.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.16 164.38 12.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.328 2.251 . . . . 0.0 109.462 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -125.72 -170.99 2.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.23 1.812 . . . . 0.0 107.278 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HD3' HD23 ' A' ' 79' ' ' LEU . 53.6 mmtt -60.29 -12.05 8.02 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -38.15 -72.91 0.05 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.978 1.711 . . . . 0.0 110.532 156.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -112.82 -17.98 12.39 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.969 1.258 . . . . 0.0 109.914 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.45 HD23 ' HD3' ' A' ' 76' ' ' LYS . 31.0 tp -55.88 -44.02 77.74 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 120.42 1.464 . . . . 0.0 110.937 175.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -47.87 68.8 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.515 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.39 -55.03 20.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 120.644 1.566 . . . . 0.0 110.003 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CD2' ' CZ3' ' A' ' 132' ' ' TRP . 31.0 t80 -45.5 -58.3 3.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.433 0.693 . . . . 0.0 110.682 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.25 -26.67 62.1 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.111 -0.993 . . . . 0.0 111.761 -172.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.74 -59.32 4.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.493 1.517 . . . . 0.0 108.445 173.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.64 -43.15 84.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.261 1.824 . . . . 0.0 110.681 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.41 -43.62 88.69 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.152 0.887 . . . . 0.0 110.024 178.08 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.44 67.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 120.951 -1.093 . . . . 0.0 110.818 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -53.94 -52.23 61.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.373 1.469 . . . . 0.0 108.949 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -56.31 -47.67 78.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.033 1.733 . . . . 0.0 110.823 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -175.353 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.337 0 CA-C-O 124.171 1.938 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.49 7.41 0.58 Allowed 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.484 -163.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.2 m -130.76 161.94 30.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 163.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.17 -44.77 96.63 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 168.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 ptp -62.3 -23.58 66.81 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.532 1.933 . . . . 0.0 113.011 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -77.34 -51.74 10.35 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.424 1.011 . . . . 0.0 109.605 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.41 -35.68 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.99 -62.02 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.505 1.122 . . . . 0.0 113.413 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -30.69 68.86 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.019 0.437 . . . . 0.0 111.352 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -36.33 68.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.078 0.466 . . . . 0.0 110.534 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.6 mt -70.04 -43.21 71.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.186 -0.946 . . . . 0.0 110.105 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 21.3 t -60.98 -43.47 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.34 83.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.731 1.15 . . . . 0.0 111.887 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -72.07 -43.58 64.65 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.061 0.945 . . . . 0.0 113.027 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -126.95 -44.23 1.64 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.149 -0.929 . . . . 0.0 113.327 -169.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 126.45 -117.47 2.82 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.385 1.469 . . . . 0.0 113.811 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -120.38 -20.98 7.04 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.71 -2.053 . . . . 0.0 113.566 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -79.36 -89.6 0.05 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 170.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -65.08 -8.0 14.62 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.06 70.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 116.874 -1.536 . . . . 0.0 111.188 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.584 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 38.3 t-105 -103.23 -45.58 4.86 Favored 'General case' 0 C--O 1.207 -1.179 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -176.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.94 -37.46 69.01 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 119.652 -1.905 . . . . 0.0 113.246 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 tt -76.61 -36.97 57.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 125' ' ' TRP . . . -50.48 -61.9 1.91 Allowed 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 125.255 1.422 . . . . 0.0 109.19 171.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -24.95 45.49 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.018 1.327 . . . . 0.0 111.581 -160.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -50.93 -38.53 50.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.555 0.742 . . . . 0.0 110.41 163.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.7 m -61.26 -20.87 63.35 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.321 -1.487 . . . . 0.0 112.004 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.436 ' CZ3' ' CD2' ' A' ' 82' ' ' PHE . 7.4 m95 -66.77 -33.29 75.29 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.137 -0.977 . . . . 0.0 111.289 174.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -44.44 96.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.979 0.912 . . . . 0.0 108.719 172.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.76 -42.54 60.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 116.347 -1.787 . . . . 0.0 114.174 -177.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.3 mtm -60.48 -61.44 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 121.442 1.928 . . . . 0.0 109.484 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 149.27 5.77 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.127 -0.818 . . . . 0.0 114.082 -174.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.533 HD23 HD12 ' A' ' 140' ' ' LEU 0.611 0.0 OUTLIER -124.69 56.78 1.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.773 2.029 . . . . 0.0 115.498 -170.199 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -11.42 4.67 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.9 t -47.19 -46.51 23.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.398 1.453 . . . . 0.0 109.855 164.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 137' ' ' LEU . 54.8 mt -66.87 -41.19 87.71 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.278 1.031 . . . . 0.0 110.158 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 13.6 t -58.08 -49.51 76.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.228 1.011 . . . . 0.0 110.144 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.63 -55.74 27.39 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.137 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.68 -12.2 32.18 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.951 1.251 . . . . 0.0 113.264 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.32 -2.04 56.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.331 1.423 . . . . 0.0 113.049 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 CA--C 1.534 0.353 0 C-N-CA 125.439 1.496 . . . . 0.0 110.485 -178.657 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.1 m0 . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.13 -77.67 2.05 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 158.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -53.88 -31.66 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.375 1.088 . . . . 0.0 111.404 171.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.72 -62.42 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.298 1.039 . . . . 0.0 108.6 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.15 -20.85 65.77 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.147 -1.406 . . . . 0.0 113.748 -170.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.22 -42.74 52.15 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 121.089 1.768 . . . . 0.0 111.513 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -72.26 -32.59 66.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.95 0.9 . . . . 0.0 109.981 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.62 -6.53 54.5 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.539 1.136 . . . . 0.0 111.575 -173.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -90.6 -28.36 18.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 110.424 -173.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.67 55.46 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -174.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.96 165.0 23.05 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.506 1.522 . . . . 0.0 110.333 -177.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -134.06 -170.86 2.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.84 1.256 . . . . 0.0 108.627 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -6.15 10.4 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.908 -1.12 . . . . 0.0 114.02 -165.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.82 -76.33 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.026 0.93 . . . . 0.0 109.307 154.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -102.95 -24.88 13.63 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 121.124 -0.985 . . . . 0.0 110.763 -161.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -38.02 74.4 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 110.054 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -84.71 -37.87 20.41 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 116.371 -1.776 . . . . 0.0 110.534 -175.815 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.76 -57.38 11.74 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -46.47 -57.13 4.98 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.148 0.886 . . . . 0.0 111.641 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -39.92 69.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.551 1.069 . . . . 0.0 112.461 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -54.19 6.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.19 0.996 . . . . 0.0 110.057 -174.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.7 -16.24 37.46 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.944 1.298 . . . . 0.0 111.816 175.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 tt -80.64 -55.59 4.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 119.789 1.177 . . . . 0.0 108.39 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.38 -23.87 64.66 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.809 0.444 . . . . 0.0 111.511 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -52.53 -48.11 66.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.33 1.452 . . . . 0.0 110.489 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.345 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.428 1.491 . . . . 0.0 112.224 -149.607 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 C--O 1.239 0.55 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.5 t -135.66 2.25 2.9 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.668 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.7 m -99.99 153.57 19.09 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.471 1.032 . . . . 0.0 110.45 164.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.85 -28.5 70.29 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.449 -0.782 . . . . 0.0 113.014 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -36.19 82.98 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.826 -0.808 . . . . 0.0 110.293 175.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -82.85 -45.91 13.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.058 0.943 . . . . 0.0 110.89 -172.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 24.2 m -60.27 -28.88 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 123.752 0.821 . . . . 0.0 111.385 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.85 -48.59 30.91 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.362 0.665 . . . . 0.0 111.554 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.2 p -62.08 -33.34 74.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.665 0.666 . . . . 0.0 112.176 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -42.11 70.88 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.324 1.05 . . . . 0.0 109.072 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.0 -52.61 16.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.795 1.638 . . . . 0.0 111.108 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.96 -28.06 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 119.419 1.009 . . . . 0.0 109.865 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.47 64.96 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 120.766 -1.209 . . . . 0.0 112.05 171.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -61.59 -39.77 92.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.868 0.867 . . . . 0.0 110.175 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -127.72 -80.35 0.59 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.61 0.764 . . . . 0.0 110.473 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.12 11.53 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -158.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -55.15 -23.46 21.4 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.61 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.286 1.434 . . . . 0.0 110.0 168.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -27.53 62.33 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 120.668 -1.27 . . . . 0.0 112.831 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.84 13.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.772 0.715 . . . . 0.0 111.783 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -118.19 -51.31 2.43 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 119.395 0.998 . . . . 0.0 111.411 169.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -45.86 -45.0 14.81 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.609 1.564 . . . . 0.0 114.066 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -41.04 16.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.469 1.128 . . . . 0.0 108.38 -172.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.83 -41.42 64.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.121 1.368 . . . . 0.0 112.549 168.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.09 -52.91 63.4 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 125.69 1.596 . . . . 0.0 109.983 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.305 0.642 . . . . 0.0 110.468 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.9 m -65.24 -13.58 58.68 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.072 -1.017 . . . . 0.0 111.756 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -72.1 -28.83 63.54 Favored 'General case' 0 C--O 1.225 -0.198 0 O-C-N 120.7 -1.25 . . . . 0.0 111.754 172.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -58.92 -45.18 90.97 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.292 1.437 . . . . 0.0 110.029 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -49.48 -56.95 7.99 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.717 1.607 . . . . 0.0 110.531 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 36.4 mtp -81.01 -13.79 58.52 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.059 0.544 . . . . 0.0 112.324 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.01 69.1 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.149 -1.362 . . . . 0.0 113.102 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.44 77.33 6.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.155 1.977 . . . . 0.0 109.469 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -55.53 -46.83 77.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.588 1.155 . . . . 0.0 109.628 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.4 m -57.87 -40.61 80.62 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 118.188 -0.91 . . . . 0.0 113.182 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.67 -41.69 68.38 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.384 1.447 . . . . 0.0 109.401 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -44.22 97.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 110.488 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.23 -66.31 0.56 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.4 1.88 . . . . 0.0 110.459 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -49.65 -39.67 37.01 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 126.729 2.012 . . . . 0.0 111.407 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.64 42.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.22 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 127.382 2.273 . . . . 0.0 112.047 -167.046 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.2 -94.93 0.15 Allowed Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.186 -2.366 . . . . 0.0 107.186 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -57.01 -25.08 57.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.83 -42.74 47.98 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.077 1.351 . . . . 0.0 110.681 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.18 67.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.473 0.709 . . . . 0.0 112.243 -173.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -66.49 -36.81 83.65 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.15 0.98 . . . . 0.0 111.36 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -66.34 -21.38 66.25 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.926 -1.109 . . . . 0.0 110.696 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.8 mt -107.89 32.28 4.86 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.367 1.867 . . . . 0.0 109.193 -175.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.35 -26.82 1.83 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.229 1.411 . . . . 0.0 110.433 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -67.27 -50.97 58.38 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.424 0.557 . . . . 0.0 109.798 -175.624 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 161.59 30.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.927 0.891 . . . . 0.0 108.645 169.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -123.25 -176.61 3.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.15 -41.71 0.27 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.419 1.887 . . . . 0.0 114.483 -175.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -41.67 -55.82 2.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 128.719 2.807 . . . . 0.0 110.415 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -113.14 -22.45 10.51 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 123.605 0.762 . . . . 0.0 109.661 -172.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.3 tp -54.75 -39.14 68.01 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 121.134 -0.979 . . . . 0.0 111.115 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -39.57 54.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.034 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.805 ' HA ' HD13 ' A' ' 85' ' ' LEU . 34.1 mt-10 -62.07 0.85 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.434 1.094 . . . . 0.0 112.589 164.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -103.77 -74.62 0.64 Allowed 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 121.362 -0.836 . . . . 0.0 110.408 157.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.95 -35.76 47.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.953 1.701 . . . . 0.0 113.178 -169.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.432 ' HG ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -87.32 -48.44 7.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.75 0.704 . . . . 0.0 109.509 -175.195 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.805 HD13 ' HA ' ' A' ' 81' ' ' GLU . 8.9 mp -56.96 -22.5 38.57 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.785 2.034 . . . . 0.0 111.204 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -44.85 83.94 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.95 67.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.346 -0.846 . . . . 0.0 110.97 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -63.69 -44.35 93.93 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -72.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 169.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 125.795 1.638 . . . . 0.0 110.88 -167.541 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.724 0.773 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -139.66 0.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.811 2.044 . . . . 0.0 111.999 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -111.85 133.92 53.75 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.421 0.629 . . . . 0.0 109.433 -174.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.81 85.46 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 123.897 0.761 . . . . 0.0 112.78 -167.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -43.16 74.86 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 117.864 0.832 . . . . 0.0 111.4 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.7 -27.23 27.17 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 121.407 -0.808 . . . . 0.0 112.3 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.03 -41.29 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 165.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.32 90.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.137 0.881 . . . . 0.0 112.111 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 p -58.59 -35.77 72.95 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.96 0.8 . . . . 0.0 112.048 174.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -42.36 82.29 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 115' ' ' LEU . 9.4 tp -69.79 -43.11 72.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 120.894 -1.129 . . . . 0.0 111.982 -171.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.7 -27.13 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 118.2 0.455 . . . . 0.0 110.149 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.0 -35.02 66.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.282 0.947 . . . . 0.0 111.539 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -69.73 -59.7 2.78 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.234 1.014 . . . . 0.0 109.454 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 97.1 m-85 -108.57 -26.52 10.36 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -162.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.36 166.17 25.88 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -156.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -49.45 -53.14 24.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.697 1.199 . . . . 0.0 112.369 -167.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -50.4 -77.53 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.971 1.308 . . . . 0.0 111.133 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.412 ' HB3' ' CD1' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -69.42 -12.18 61.44 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 116.982 -1.485 . . . . 0.0 112.013 -176.305 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.84 -65.12 0.73 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.744 1.611 . . . . 0.0 107.322 167.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -76.13 -44.44 38.38 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.582 -0.699 . . . . 0.0 112.138 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -29.19 69.28 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.16 -1.587 . . . . 0.0 113.394 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 tt -81.98 -42.84 18.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.453 1.501 . . . . 0.0 109.36 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.13 69.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.911 1.284 . . . . 0.0 110.505 172.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.4 -56.19 10.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 120.236 1.38 . . . . 0.0 111.658 174.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.12 -42.95 70.03 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.462 0.705 . . . . 0.0 110.13 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.8 m -57.71 -31.16 66.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.413 0.685 . . . . 0.0 110.868 -172.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -74.68 -28.59 60.89 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.369 -0.832 . . . . 0.0 113.191 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -64.91 -40.97 95.9 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.04 0.836 . . . . 0.0 109.161 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -55.8 -44.92 78.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.082 1.753 . . . . 0.0 110.711 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.0 mtp -74.98 -15.45 60.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.84 6.47 69.79 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.887 1.232 . . . . 0.0 114.209 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.507 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.2 mm? -79.48 124.99 28.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 120.216 2.008 . . . . 0.0 108.318 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -107.05 -24.69 11.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 42.8 t -57.67 -35.19 70.23 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.216 0.916 . . . . 0.0 110.252 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 137' ' ' LEU . 3.8 mm? -73.41 -61.3 1.88 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.282 1.033 . . . . 0.0 110.677 -165.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.38 -37.57 72.86 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.041 0.837 . . . . 0.0 111.482 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.86 -72.78 0.07 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.87 -11.3 58.36 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.413 -1.429 . . . . 0.0 113.258 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.82 -45.57 50.49 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 120.914 -1.116 . . . . 0.0 111.793 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.344 0.347 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -162.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.9 p-90 . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.02 -79.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -174.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -54.85 -51.26 66.46 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.023 0.911 . . . . 0.0 111.956 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.8 pp -50.58 -33.14 20.85 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.882 1.673 . . . . 0.0 113.054 175.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . . . -69.78 -22.06 63.37 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.369 0.986 . . . . 0.0 111.766 -172.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -64.69 -49.84 69.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.411 1.005 . . . . 0.0 110.027 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -54.67 -33.78 61.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.005 0.522 . . . . 0.0 109.788 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 68' ' ' ALA . 9.3 mp -83.4 0.45 46.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.72 1.608 . . . . 0.0 113.872 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 -5.67 11.07 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 120.57 1.532 . . . . 0.0 112.153 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.754 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -58.18 -56.16 25.7 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 166.026 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.11 161.86 27.09 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 110.045 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -125.0 177.22 6.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.87 1.668 . . . . 0.0 108.069 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.07 -10.84 15.96 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -164.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -44.58 -63.7 0.84 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.048 1.294 . . . . 0.0 110.122 157.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.69 -31.26 8.98 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -167.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.08 -39.62 66.47 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.139 -0.976 . . . . 0.0 110.233 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.509 ' HE3' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -61.74 -57.12 13.14 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.657 1.183 . . . . 0.0 111.351 172.318 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -53.38 -42.93 67.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.861 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -55.57 -51.44 67.09 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 119.386 0.994 . . . . 0.0 112.193 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.2 -46.4 88.52 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.099 0.863 . . . . 0.0 110.168 176.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.509 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 5.9 tt -64.0 -54.59 31.92 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 125.65 1.58 . . . . 0.0 110.513 -170.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.57 -48.06 82.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.301 2.24 . . . . 0.0 109.56 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.61 -48.7 80.63 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 125.086 1.354 . . . . 0.0 109.53 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.2 -13.5 60.38 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.051 0.941 . . . . 0.0 113.171 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.45 -45.74 11.56 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 119.365 0.984 . . . . 0.0 109.962 167.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -60.09 3.79 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.083 1.753 . . . . 0.0 110.616 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.776 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.158 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HE3' ' CD1' ' A' ' 114' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.369 0 CA-C-O 122.245 1.022 . . . . 0.0 109.479 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 t -82.61 5.47 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 125.793 1.637 . . . . 0.0 112.287 -174.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.5 m -123.76 141.24 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 121.426 -0.797 . . . . 0.0 110.567 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.8 91.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 123.759 0.695 . . . . 0.0 113.575 -167.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -14.91 35.87 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.283 1.033 . . . . 0.0 112.769 171.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -108.2 -12.31 15.11 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.831 1.252 . . . . 0.0 111.912 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.63 -24.09 18.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 120.663 -1.273 . . . . 0.0 108.465 155.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.31 -53.04 21.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.166 -0.959 . . . . 0.0 111.97 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.92 -41.52 46.27 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.576 1.55 . . . . 0.0 111.066 170.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.484 ' CD1' ' HE3' ' A' ' 105' ' ' LYS . 1.5 t80 -68.49 -45.21 72.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.974 0.909 . . . . 0.0 110.775 -176.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.29 -39.15 93.34 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.598 -0.689 . . . . 0.0 110.702 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.44 -42.85 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.84 -49.4 72.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.043 0.838 . . . . 0.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -72.87 -32.33 65.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.766 -169.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -129.06 -45.02 1.27 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.552 0.615 . . . . 0.0 112.178 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.25 160.02 13.93 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -172.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -68.79 -13.71 62.57 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -165.066 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.52 -81.57 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.392 1.477 . . . . 0.0 110.462 159.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -62.48 -26.83 68.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.712 1.142 . . . . 0.0 111.977 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 121' ' ' GLU . . . -59.9 -13.14 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 118.182 -0.913 . . . . 0.0 112.232 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.472 ' CZ3' ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -119.11 -53.58 2.25 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.45 0.7 . . . . 0.0 110.338 160.286 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -50.72 -35.29 30.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.371 1.869 . . . . 0.0 114.823 -175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -51.37 7.05 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.66 47.01 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.233 1.013 . . . . 0.0 113.081 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -52.91 -49.84 65.14 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.106 1.363 . . . . 0.0 110.468 176.387 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -32.05 63.53 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.841 0.746 . . . . 0.0 111.441 -176.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 m -60.95 -9.2 3.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.526 1.057 . . . . 0.0 111.719 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.408 ' CG ' ' HB2' ' A' ' 141' ' ' CYS . 5.2 p-90 -55.64 -42.61 75.26 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.047 -1.033 . . . . 0.0 110.439 165.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.44 -32.67 74.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.349 1.06 . . . . 0.0 109.756 -171.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.24 -62.97 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.852 1.261 . . . . 0.0 109.304 171.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.7 mtm -75.46 -12.53 60.26 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -171.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.78 1.59 82.56 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.102 1.81 . . . . 0.0 114.928 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.15 86.29 4.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.465 2.133 . . . . 0.0 110.78 -168.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -53.75 48.31 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.06 0.944 . . . . 0.0 111.134 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -25.43 68.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.258 0.623 . . . . 0.0 111.926 -168.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.754 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.0 mm? -69.39 -59.92 2.68 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.408 ' HB2' ' CG ' ' A' ' 132' ' ' TRP . 35.2 t -57.41 -39.35 75.98 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.436 0.695 . . . . 0.0 111.094 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.1 -65.29 0.72 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.705 0.802 . . . . 0.0 110.137 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.79 -18.74 65.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.0 0.92 . . . . 0.0 112.341 -173.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.38 -14.2 62.78 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.888 . . . . 0.0 112.659 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 CA--C 1.534 0.33 0 C-N-CA 124.566 1.146 . . . . 0.0 112.551 -168.517 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.4 m95 . . . . . 0 N--CA 1.438 -1.063 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.97 -91.08 0.59 Allowed Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 107.023 -2.431 . . . . 0.0 107.023 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -27.43 7.27 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.368 1.067 . . . . 0.0 113.347 172.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.9 1.2 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.79 -24.99 67.73 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.081 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -10.3 3.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.837 1.655 . . . . 0.0 114.641 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -114.36 -41.07 3.52 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.841 2.057 . . . . 0.0 108.279 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -68.98 4.28 1.61 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.808 2.443 . . . . 0.0 112.498 177.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -16.79 14.43 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.989 1.716 . . . . 0.0 111.765 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.658 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -64.36 -47.5 79.07 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 120.076 1.307 . . . . 0.0 108.236 174.046 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -99.25 160.44 14.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.806 1.242 . . . . 0.0 112.026 -176.81 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -135.5 -161.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.796 1.639 . . . . 0.0 107.507 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -54.58 -16.39 2.38 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -169.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -51.97 -58.36 6.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.415 1.007 . . . . 0.0 109.957 169.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' HB2' HD12 ' A' ' 74' ' ' LEU . 31.5 mt-10 -125.65 -21.08 4.53 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.108 0.867 . . . . 0.0 111.034 -169.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.95 -34.4 77.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 119.794 -1.816 . . . . 0.0 110.901 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -44.86 87.73 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.425 170.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.19 -34.74 78.77 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.869 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -50.63 -60.89 2.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.691 2.042 . . . . 0.0 110.045 171.375 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -66.21 -25.69 67.04 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.99 -63.96 1.24 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.59 1.556 . . . . 0.0 109.112 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.61 -43.9 69.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 127.306 2.242 . . . . 0.0 110.602 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.53 -48.74 79.67 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.73 70.01 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.921 0.782 . . . . 0.0 111.185 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.68 -34.55 67.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.627 0.771 . . . . 0.0 111.94 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' HE3' ' NE2' ' A' ' 130' ' ' HIS . 1.6 mptt -68.0 -75.72 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.888 1.275 . . . . 0.0 108.306 164.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 C-N-CA 125.555 1.542 . . . . 0.0 110.664 -172.335 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mptt . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.1 t -152.62 15.68 0.59 Allowed 'General case' 0 C--O 1.239 0.536 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -161.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -119.93 160.07 23.44 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.572 0.623 . . . . 0.0 112.447 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -30.26 -61.86 0.19 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 128.05 2.738 . . . . 0.0 112.975 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -14.11 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.477 1.511 . . . . 0.0 113.45 -173.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.06 -47.89 7.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.245 0.618 . . . . 0.0 110.511 -172.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.2 t -53.37 -39.35 35.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.65 -62.01 1.94 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.146 0.979 . . . . 0.0 112.229 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -63.03 -24.25 67.83 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.29 0.496 . . . . 0.0 111.945 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.49 -48.18 65.12 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 172.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 115' ' ' LEU . 6.9 tp -65.13 -43.75 90.91 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.226 1.01 . . . . 0.0 112.46 -173.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.58 -29.37 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 118.886 0.766 . . . . 0.0 110.076 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.7 59.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.722 1.147 . . . . 0.0 111.932 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -65.86 -50.92 62.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.628 0.649 . . . . 0.0 110.238 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -117.25 -22.69 8.18 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -163.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.2 174.3 45.43 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -152.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.46 -34.91 69.49 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 123.924 0.89 . . . . 0.0 112.684 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -60.29 -84.39 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.499 1.52 . . . . 0.0 109.218 -175.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -65.01 -21.83 66.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.251 0.932 . . . . 0.0 111.684 -172.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.79 -18.83 57.49 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.82 1.191 . . . . 0.0 112.317 174.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.463 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.9 OUTLIER -119.9 -49.91 2.3 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 119.501 1.046 . . . . 0.0 109.592 174.305 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -59.53 -22.66 61.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.738 1.215 . . . . 0.0 113.766 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -94.75 -41.26 9.34 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.926 1.239 . . . . 0.0 109.481 171.254 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.92 -45.4 10.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.463 0.705 . . . . 0.0 112.638 170.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 125' ' ' TRP . 8.9 mt -73.27 -33.35 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.767 1.627 . . . . 0.0 110.795 -175.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.43 ' NE2' ' HE3' ' A' ' 89' ' ' LYS . 2.3 t-160 -59.62 -49.31 78.25 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 164.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -26.33 54.57 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.195 -1.565 . . . . 0.0 112.678 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.405 ' CH2' ' CD2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -76.06 -24.18 55.11 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.917 1.287 . . . . 0.0 111.681 178.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.88 67.67 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.222 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -73.43 -65.32 0.83 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.64 169.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 6.3 mtm -56.88 -24.88 54.99 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 119.664 1.12 . . . . 0.0 113.313 -165.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.21 67.99 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 119.176 0.898 . . . . 0.0 112.781 172.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -79.11 72.08 5.63 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -61.65 -37.62 84.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.578 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -47.98 53.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.295 1.438 . . . . 0.0 110.508 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.658 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.1 mm? -65.17 -52.48 54.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 124.166 0.986 . . . . 0.0 110.143 -178.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.01 -43.17 99.48 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.519 0.328 . . . . 0.0 111.102 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.52 -61.88 2.11 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.643 1.577 . . . . 0.0 108.119 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -50.09 -32.11 14.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.479 1.112 . . . . 0.0 113.119 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -80.81 -8.08 59.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.666 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 CA--C 1.545 0.784 0 CA-C-N 121.271 1.85 . . . . 0.0 112.855 -168.035 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.73 -100.05 0.03 OUTLIER Glycine 0 C--N 1.336 0.567 0 C-N-CA 126.435 1.969 . . . . 0.0 110.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.84 -41.39 1.13 Allowed 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.592 1.957 . . . . 0.0 112.922 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.7 mt -50.62 -41.89 55.46 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 118.705 0.684 . . . . 0.0 110.798 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.24 65.2 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.782 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.27 -50.07 61.88 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.062 1.301 . . . . 0.0 109.554 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -55.84 -43.46 77.03 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.9 9.52 5.24 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.118 0.967 . . . . 0.0 113.069 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 -5.33 7.72 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.756 1.617 . . . . 0.0 113.272 175.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.635 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -57.17 -40.78 77.96 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 170.226 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.02 166.0 12.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.94 2.096 . . . . 0.0 110.51 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -127.52 -171.67 2.49 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.765 1.626 . . . . 0.0 108.635 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -47.48 -23.4 0.62 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.809 2.044 . . . . 0.0 113.047 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 77' ' ' GLU . 32.3 mt-10 -38.05 -64.03 0.44 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 128.998 2.919 . . . . 0.0 110.341 164.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -124.41 -22.26 4.72 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.441 1.496 . . . . 0.0 110.854 -170.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.6 tp -57.57 -43.46 84.57 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.866 1.266 . . . . 0.0 110.699 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -63.61 -54.44 35.81 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.025 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -42.18 83.21 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.641 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.435 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 27.0 t80 -49.65 -61.89 1.86 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 120.325 1.42 . . . . 0.0 110.604 173.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -66.53 -28.16 68.32 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.905 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.23 -58.8 3.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.496 2.318 . . . . 0.0 110.206 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.0 -41.79 88.52 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.515 1.526 . . . . 0.0 110.067 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tt -59.94 -57.11 14.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.607 1.163 . . . . 0.0 108.514 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.74 -35.68 71.03 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 111.697 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -61.74 -57.32 12.36 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.586 0.755 . . . . 0.0 109.835 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -58.68 6.98 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.88 -173.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 131.549 3.939 . . . . 0.0 119.601 173.462 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 t -145.0 6.25 1.16 Allowed 'General case' 0 C--O 1.238 0.494 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -164.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.27 156.98 31.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.262 1.025 . . . . 0.0 109.606 173.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.01 69.0 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 124.296 0.95 . . . . 0.0 112.25 -175.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.11 -21.28 66.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.35 1.075 . . . . 0.0 111.881 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.89 -58.43 3.31 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 119.427 1.012 . . . . 0.0 109.425 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.407 ' HA ' ' HB3' ' A' ' 114' ' ' TYR . 4.7 m -58.15 -26.69 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.139 0.976 . . . . 0.0 111.96 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.32 -58.92 3.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.456 1.102 . . . . 0.0 113.037 171.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -27.44 68.26 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.345 -0.847 . . . . 0.0 111.915 176.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.407 ' HB3' ' HA ' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.4 -49.12 67.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.92 0.782 . . . . 0.0 108.978 -179.146 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.372 1.069 . . . . 0.0 109.667 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.88 -41.79 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 O-C-N 121.878 -0.514 . . . . 0.0 109.674 173.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -30.69 71.13 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.781 0.832 . . . . 0.0 112.144 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.53 -68.73 0.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.44 -7.51 12.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -149.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.94 177.38 35.98 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -152.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -54.75 -26.94 37.46 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.482 0.713 . . . . 0.0 112.897 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -55.4 -80.46 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.306 1.042 . . . . 0.0 111.546 -170.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.457 ' HA ' ' HB3' ' A' ' 126' ' ' ASP . 0.8 OUTLIER -68.43 -20.81 64.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.186 -179.108 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.35 -14.31 17.86 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.83 -46.63 2.34 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.27 0.941 . . . . 0.0 112.215 164.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' A' ' 123' ' ' ARG . 16.9 t70 -50.4 -43.03 54.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.742 1.617 . . . . 0.0 114.055 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -40.94 21.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.072 0.939 . . . . 0.0 108.726 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -51.37 -36.14 41.9 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.01 0.924 . . . . 0.0 112.662 168.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.69 -39.77 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 120.348 1.431 . . . . 0.0 111.448 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -43.47 98.75 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.5 m -61.55 -37.02 82.26 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.848 0.859 . . . . 0.0 109.34 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -63.6 -36.85 85.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.725 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -75.2 -38.5 60.71 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.776 0.716 . . . . 0.0 109.981 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.31 -46.27 69.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.662 1.185 . . . . 0.0 111.379 173.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 66.4 mtp -77.04 -16.34 59.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.61 25.18 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 118.941 0.792 . . . . 0.0 112.491 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.6 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.7 mm? -106.51 81.93 1.66 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.855 1.327 . . . . 0.0 110.186 173.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -61.77 -44.05 97.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 O-C-N 121.324 -0.86 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.4 p -63.2 0.78 0.57 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.647 1.579 . . . . 0.0 114.286 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.635 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.6 mm? -105.71 -53.25 2.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.173 1.389 . . . . 0.0 107.819 171.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.07 -47.29 68.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.44 1.096 . . . . 0.0 113.393 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.83 -67.02 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -55.81 -19.48 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.026 1.331 . . . . 0.0 114.163 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.43 63.11 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 116.438 -1.744 . . . . 0.0 112.026 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . 0.27 11.6 mp0 . . . . . 0 C--N 1.347 0.47 0 CA-C-N 120.4 1.455 . . . . 0.0 111.695 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.4 m95 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 -91.68 1.66 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 164.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.31 -44.78 62.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.314 1.446 . . . . 0.0 110.617 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 tp -47.37 -52.7 15.85 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.133 1.373 . . . . 0.0 111.523 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.91 -14.86 58.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.076 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.8 m -63.02 -40.87 99.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 121.681 2.037 . . . . 0.0 110.027 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -61.87 -24.23 66.79 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 123.128 0.571 . . . . 0.0 111.885 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 -8.48 31.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.252 1.021 . . . . 0.0 110.551 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.94 -32.35 57.27 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.484 0.713 . . . . 0.0 110.095 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -81.44 -9.94 59.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.447 0.699 . . . . 0.0 112.708 -171.185 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -69.04 171.95 7.43 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.264 1.825 . . . . 0.0 111.769 -173.182 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -134.94 169.83 16.81 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.471 1.108 . . . . 0.0 110.366 152.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -39.73 -47.76 2.09 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.579 1.952 . . . . 0.0 112.493 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.26 -16.48 45.82 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 112.237 -168.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -131.54 -24.01 2.28 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.658 0.783 . . . . 0.0 110.406 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 33.9 tp -67.76 -40.8 84.01 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.289 1.436 . . . . 0.0 111.813 173.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -53.82 10.23 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -38.62 70.43 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.58 -1.2 . . . . 0.0 111.463 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 52.7 t80 -52.78 -61.15 2.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 120.366 1.439 . . . . 0.0 110.084 172.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -24.55 65.32 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.253 -174.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.65 -71.33 0.21 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.224 2.21 . . . . 0.0 109.421 172.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -49.68 -43.73 47.49 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.782 2.033 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -45.14 -67.32 0.29 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 126.559 1.944 . . . . 0.0 111.398 167.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.54 25.37 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -93.52 -38.86 11.18 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.893 1.277 . . . . 0.0 109.283 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.92 -61.9 1.88 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.171 1.388 . . . . 0.0 107.75 163.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 123.278 0.631 . . . . 0.0 112.25 -166.243 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.6 p -104.17 27.8 7.39 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.161 0.984 . . . . 0.0 111.232 171.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 p -118.31 141.24 48.72 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 120.631 -1.293 . . . . 0.0 108.763 165.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.57 -37.63 89.39 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.941 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.2 ptm -74.26 -26.78 60.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.998 -0.707 . . . . 0.0 112.158 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -81.47 -37.19 28.35 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.298 0.954 . . . . 0.0 111.022 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -55.27 -40.94 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 119.289 0.95 . . . . 0.0 108.821 168.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.57 -64.67 0.84 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.737 0.815 . . . . 0.0 112.246 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 p -58.25 -30.32 66.46 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.345 0.52 . . . . 0.0 111.948 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -65.64 -55.15 19.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.84 -41.11 95.98 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.621 -0.674 . . . . 0.0 110.979 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.66 -26.63 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.933 1.293 . . . . 0.0 111.183 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.27 -4.49 25.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.599 1.159 . . . . 0.0 113.583 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -94.56 -38.77 10.72 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 125.051 1.341 . . . . 0.0 110.681 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -111.17 -56.13 2.41 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.771 1.228 . . . . 0.0 110.708 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 118.49 159.09 11.04 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -166.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.19 -32.57 64.49 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 124.678 1.191 . . . . 0.0 113.834 -162.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -60.13 -74.76 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 119.082 0.855 . . . . 0.0 110.439 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -63.44 -30.2 71.36 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.785 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -6.29 8.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.595 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.461 ' HE1' ' HB1' ' A' ' 144' ' ' ALA . 1.7 t-105 -120.71 -46.35 2.36 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.794 1.179 . . . . 0.0 112.122 156.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.85 -33.52 56.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.313 1.845 . . . . 0.0 114.996 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.99 -48.68 15.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.8 1.64 . . . . 0.0 107.755 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.569 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -54.46 -35.48 63.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.775 2.43 . . . . 0.0 112.887 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.39 -50.75 68.91 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 124.574 1.15 . . . . 0.0 110.396 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -37.04 83.19 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.945 0.498 . . . . 0.0 110.225 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 77.0 m -64.29 -29.91 70.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.887 0.875 . . . . 0.0 110.126 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.443 ' CH2' HD13 ' A' ' 140' ' ' LEU . 5.8 m95 -61.71 -47.38 85.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.52 -0.738 . . . . 0.0 110.17 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -63.57 -32.25 73.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.114 0.966 . . . . 0.0 111.226 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -60.28 -42.11 94.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.215 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -81.81 -15.37 54.39 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.018 0.826 . . . . 0.0 111.738 171.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.93 60.92 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.67 1.605 . . . . 0.0 114.301 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.82 78.13 5.28 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 120.332 2.066 . . . . 0.0 110.45 -169.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -55.01 -49.29 71.88 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 125.127 1.371 . . . . 0.0 109.988 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.2 m -62.23 -37.72 86.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.585 0.754 . . . . 0.0 111.347 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.62 HD11 ' CE1' ' A' ' 73' ' ' PHE . 90.2 mt -68.11 -49.53 60.53 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.0 t -53.71 -39.27 65.07 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.923 0.889 . . . . 0.0 110.343 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.9 -56.39 9.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.029 2.132 . . . . 0.0 110.935 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.59 -24.97 64.21 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.35 -0.844 . . . . 0.0 110.816 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.461 ' HB1' ' HE1' ' A' ' 125' ' ' TRP . . . -81.61 0.71 37.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.42 1.488 . . . . 0.0 113.762 174.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 N--CA 1.469 0.504 0 CA-C-N 120.184 1.356 . . . . 0.0 112.703 -176.249 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.8 -105.69 0.04 OUTLIER Glycine 0 CA--C 1.526 0.72 0 C-N-CA 127.012 2.244 . . . . 0.0 112.988 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -16.55 40.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 117.661 -1.161 . . . . 0.0 113.534 -172.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mp -41.01 -58.05 1.84 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.555 1.542 . . . . 0.0 109.966 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -17.36 62.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.6 -1.191 . . . . 0.0 112.346 -172.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 16.5 t -67.21 -45.03 78.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 120.245 1.384 . . . . 0.0 108.498 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -62.37 -43.49 98.7 Favored 'General case' 0 CA--C 1.523 -0.084 0 O-C-N 121.205 -0.935 . . . . 0.0 109.407 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 9.53 3.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.583 0.753 . . . . 0.0 111.987 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -107.18 -15.07 14.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.319 2.248 . . . . 0.0 110.109 166.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -60.2 2.56 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.256 1.389 . . . . 0.0 107.986 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -89.94 149.54 22.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.862 1.315 . . . . 0.0 110.148 -173.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -116.76 -171.83 2.09 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.506 1.922 . . . . 0.0 107.599 -175.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -60.55 -14.78 21.92 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 117.093 -1.432 . . . . 0.0 114.54 -160.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -49.37 -71.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.512 1.051 . . . . 0.0 109.769 163.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -106.99 -17.51 14.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -160.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.46 -42.81 99.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.207 1.003 . . . . 0.0 109.004 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -69.28 -48.11 62.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 115.809 -2.043 . . . . 0.0 110.113 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.47 -45.86 69.74 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.786 1.63 . . . . 0.0 110.082 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -54.78 -46.05 74.36 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 119.294 0.952 . . . . 0.0 111.569 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.92 -46.92 82.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.035 0.834 . . . . 0.0 111.143 175.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.06 -64.41 0.89 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.398 2.679 . . . . 0.0 109.157 -170.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.18 -48.53 67.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.989 2.116 . . . . 0.0 110.489 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.76 -56.45 19.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.747 1.219 . . . . 0.0 109.236 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.13 67.61 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.124 -0.985 . . . . 0.0 111.27 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.73 -29.28 40.57 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.376 1.07 . . . . 0.0 111.486 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.2 93.67 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 109.493 163.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.413 0 C-N-CA 125.048 1.339 . . . . 0.0 110.935 -176.354 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.6 mttp . . . . . 0 C--O 1.236 0.352 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.9 p -144.37 -1.78 0.91 Allowed 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.688 1.195 . . . . 0.0 113.348 -173.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 m -123.93 141.19 52.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 118.49 0.587 . . . . 0.0 109.789 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.76 -53.95 9.63 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 125.484 1.516 . . . . 0.0 113.015 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.9 ptp -54.26 -27.93 38.26 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.474 1.51 . . . . 0.0 114.302 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.07 -34.32 10.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.435 1.016 . . . . 0.0 110.983 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.45 -40.03 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 167.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -60.88 3.16 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.906 1.23 . . . . 0.0 111.551 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p -63.02 -24.67 68.03 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.708 -0.62 . . . . 0.0 112.061 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -74.11 -42.88 59.37 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.378 1.071 . . . . 0.0 109.56 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.38 -48.96 79.66 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.723 1.209 . . . . 0.0 110.309 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -53.96 -44.94 63.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.919 0.887 . . . . 0.0 109.744 172.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.54 -59.82 4.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.31 0.959 . . . . 0.0 110.339 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.03 -40.95 97.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 113.145 -169.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -119.78 -24.01 6.3 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 97.17 158.17 30.98 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -168.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -27.84 58.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.847 1.659 . . . . 0.0 115.009 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.34 -74.99 0.09 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.42 1.088 . . . . 0.0 110.354 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.17 -24.61 66.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.876 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.87 -18.9 25.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.078 -0.963 . . . . 0.0 112.298 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.79 -56.97 2.28 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 118.951 0.796 . . . . 0.0 110.408 162.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.33 -29.96 6.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.736 2.014 . . . . 0.0 116.396 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.82 -53.62 4.66 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 169.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.74 -26.19 22.24 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.323 1.449 . . . . 0.0 114.3 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.78 -40.28 79.45 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 127.317 2.247 . . . . 0.0 110.068 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -20.97 53.77 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.283 0.947 . . . . 0.0 112.697 -166.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 58.4 p -62.49 -25.53 68.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.286 1.434 . . . . 0.0 110.59 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -58.43 -39.21 79.18 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.95 -36.87 64.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.597 1.159 . . . . 0.0 108.699 -170.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.11 -55.15 6.02 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.274 1.03 . . . . 0.0 111.956 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 53.7 mtp -73.82 -18.0 61.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.967 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.86 6.91 69.13 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.354 1.931 . . . . 0.0 115.269 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.2 95.59 5.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.572 2.186 . . . . 0.0 111.003 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.77 -59.06 5.24 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.083 1.353 . . . . 0.0 110.9 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.0 t -67.12 -18.85 65.48 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.857 -170.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 22.4 mt -69.37 -62.35 1.41 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.494 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 19.0 t -50.5 -39.15 47.74 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 118.573 0.624 . . . . 0.0 112.095 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.01 -83.41 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.898 2.079 . . . . 0.0 109.127 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.52 -25.2 67.91 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.515 -1.366 . . . . 0.0 113.751 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.26 -24.28 18.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.053 0.941 . . . . 0.0 112.723 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 125.247 1.419 . . . . 0.0 110.982 -163.329 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.76 -101.01 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 126.31 1.91 . . . . 0.0 111.718 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -54.44 -26.03 28.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 117.845 -1.074 . . . . 0.0 113.148 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -49.73 -51.32 39.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.123 1.328 . . . . 0.0 110.587 169.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -21.81 65.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 117.754 -1.117 . . . . 0.0 111.396 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.64 -43.79 62.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.971 1.26 . . . . 0.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.49 -42.04 91.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.884 -1.135 . . . . 0.0 108.681 168.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.69 8.07 2.63 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -110.7 -8.0 14.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.547 1.939 . . . . 0.0 110.996 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -59.25 2.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 169.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.82 165.1 25.52 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.39 1.476 . . . . 0.0 111.144 -174.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.26 -169.85 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.009 1.323 . . . . 0.0 111.58 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -53.11 -11.64 0.28 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.61 -66.14 0.59 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.98 0.912 . . . . 0.0 109.585 163.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -104.21 -22.58 13.37 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.611 -0.68 . . . . 0.0 109.596 -157.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.485 HD21 ' HA2' ' A' ' 108' ' ' GLY . 2.8 tm? -58.02 -41.01 82.23 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.655 1.182 . . . . 0.0 109.333 167.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -66.36 0.53 Allowed 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 125.415 1.486 . . . . 0.0 110.079 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.61 71.33 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.92 0.782 . . . . 0.0 110.818 -172.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 56.2 t80 -55.43 -60.52 3.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.644 1.111 . . . . 0.0 111.278 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -68.46 -28.1 66.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.527 -0.733 . . . . 0.0 111.289 -171.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.39 -65.63 0.65 Allowed 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 126.871 2.068 . . . . 0.0 109.274 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.45 -41.18 89.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.266 1.026 . . . . 0.0 111.376 -176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.73 -50.85 71.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.009 0.924 . . . . 0.0 108.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.31 -29.4 70.48 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 118.976 -0.535 . . . . 0.0 111.898 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -68.48 -49.09 62.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.71 0.686 . . . . 0.0 109.961 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -60.76 2.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 128.298 2.639 . . . . 0.0 110.366 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.705 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -177.655 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 CA--C 1.523 -0.096 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -144.42 14.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.448 1.099 . . . . 0.0 111.955 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 m -136.87 148.83 47.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.485 ' HA2' HD21 ' A' ' 79' ' ' LEU . . . -59.07 -45.96 94.48 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 124.195 0.902 . . . . 0.0 112.378 -165.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ptp -66.17 -23.97 66.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.929 -0.748 . . . . 0.0 111.725 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -89.89 -35.95 15.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.618 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.4 HG22 ' HA2' ' A' ' 108' ' ' GLY . 28.6 m -67.66 -33.42 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 119.826 1.193 . . . . 0.0 109.833 169.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.21 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.175 -0.953 . . . . 0.0 111.233 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.8 t -52.8 -37.99 60.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.042 0.937 . . . . 0.0 111.222 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.87 75.93 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.687 1.195 . . . . 0.0 110.335 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.58 -32.27 60.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.473 -0.767 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.23 -42.41 95.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.37 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.954 0.797 . . . . 0.0 111.278 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -68.0 -55.38 12.84 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.665 174.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 123' ' ' ARG . 20.9 m-85 -133.75 -2.67 2.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 117.778 2.51 . . . . 0.0 117.778 -162.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.25 167.49 24.82 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 120.818 1.644 . . . . 0.0 112.24 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.97 42.97 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.73 2.012 . . . . 0.0 114.132 -170.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -64.52 -83.97 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 119.226 0.921 . . . . 0.0 108.558 167.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.412 ' HB2' ' HB3' ' A' ' 119' ' ' TYR . 4.5 mpt_? -63.29 -28.66 70.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.633 -0.667 . . . . 0.0 111.699 -169.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.89 -11.43 18.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.586 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.23 -52.5 2.17 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.828 164.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -45.7 -42.47 11.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.867 2.067 . . . . 0.0 114.092 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -46.8 13.6 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.517 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -49.98 -37.11 30.96 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.817 2.047 . . . . 0.0 113.047 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -45.68 84.27 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 126.18 1.792 . . . . 0.0 110.524 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -34.49 73.32 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.826 0.45 . . . . 0.0 110.737 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -68.89 -16.76 63.85 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.991 -1.068 . . . . 0.0 110.576 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -73.44 -31.3 63.74 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.259 -0.9 . . . . 0.0 111.744 167.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -43.92 81.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.723 171.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -52.9 -62.53 1.59 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.561 1.144 . . . . 0.0 110.303 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.438 ' HB3' HD23 ' A' ' 137' ' ' LEU . 38.5 mtp -72.16 -8.39 54.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.088 -175.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.9 14.32 82.73 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 119.826 1.194 . . . . 0.0 113.792 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 135' ' ' MET . 4.5 mm? -78.86 69.57 5.05 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 126.455 1.902 . . . . 0.0 108.708 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -67.86 -28.17 67.32 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 117.028 -1.463 . . . . 0.0 111.826 -175.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.1 m -57.5 -47.15 82.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.267 1.394 . . . . 0.0 109.895 171.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.7 mt -67.25 -46.62 73.17 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.108 0.563 . . . . 0.0 111.147 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.85 -46.12 88.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.876 0.87 . . . . 0.0 109.902 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.01 1.45 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.483 1.513 . . . . 0.0 109.337 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.89 -28.89 67.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.682 1.128 . . . . 0.0 113.428 -173.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.99 58.14 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 128.086 2.555 . . . . 0.0 109.287 -171.375 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 39.7 p-90 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -17.88 57.81 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.444 -1.198 . . . . 0.0 115.164 -172.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.09 -36.75 9.59 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.093 1.947 . . . . 0.0 110.764 166.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.46 -45.62 73.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.113 1.324 . . . . 0.0 109.783 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.37 70.29 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.058 -0.972 . . . . 0.0 112.393 175.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -64.51 -41.81 96.19 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.053 1.297 . . . . 0.0 110.293 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -58.23 -53.87 53.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.86 -4.24 4.24 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.123 2.169 . . . . 0.0 113.647 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -91.47 -17.16 26.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.394 1.477 . . . . 0.0 111.069 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.637 ' HE1' HD11 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -77.44 -55.44 5.38 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.583 1.538 . . . . 0.0 110.234 -179.083 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -67.54 157.58 34.0 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.856 1.262 . . . . 0.0 110.748 177.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -120.23 -172.45 2.36 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.766 1.627 . . . . 0.0 107.363 169.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 106' ' ' THR . 3.4 mptt -53.04 -15.57 0.85 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -175.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.88 -37.63 32.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.02 2.128 . . . . 0.0 112.187 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.42 -6.15 0.48 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.402 0.681 . . . . 0.0 111.921 169.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.95 -40.09 75.77 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.481 -2.012 . . . . 0.0 111.201 165.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -57.81 -55.41 35.26 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 173.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -54.47 -38.81 66.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.296 1.038 . . . . 0.0 111.023 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -56.27 -61.3 2.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.531 1.06 . . . . 0.0 110.033 172.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -27.52 67.25 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.257 0.935 . . . . 0.0 112.81 -172.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -63.08 -68.11 0.37 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 129.464 3.105 . . . . 0.0 108.749 172.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.33 -47.1 86.67 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.331 1.452 . . . . 0.0 109.375 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -50.75 -52.41 40.88 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.33 1.452 . . . . 0.0 111.14 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.29 -21.68 65.67 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.495 -0.753 . . . . 0.0 112.194 -176.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -88.31 -45.33 10.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.14 0.976 . . . . 0.0 109.988 -176.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -61.94 1.98 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.777 2.031 . . . . 0.0 109.745 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.473 0 C-N-CA 127.23 2.212 . . . . 0.0 113.648 -177.741 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.449 ' HE3' ' CG ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 119.034 -0.508 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.432 ' O ' ' HE3' ' A' ' 76' ' ' LYS 0.267 2.2 t -133.07 16.23 4.17 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.558 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.41 152.63 20.5 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 119.932 -1.73 . . . . 0.0 107.6 159.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.5 -35.23 74.89 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 169.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ptp -68.44 -7.62 33.44 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.694 -1.474 . . . . 0.0 113.105 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -99.09 -29.91 12.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.232 1.413 . . . . 0.0 111.338 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.95 -27.75 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 119.662 -1.899 . . . . 0.0 110.8 168.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -61.03 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.119 1.368 . . . . 0.0 112.396 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 p -56.69 -31.24 64.27 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.449 ' CG ' ' HE3' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -68.97 -40.03 79.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.851 0.75 . . . . 0.0 111.138 179.577 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.52 -44.47 82.41 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.792 -0.567 . . . . 0.0 109.512 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 10.4 t -67.39 -31.8 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 122.941 0.496 . . . . 0.0 110.473 173.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.55 87.92 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.152 -0.968 . . . . 0.0 111.788 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -74.73 -58.29 3.38 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.681 -0.637 . . . . 0.0 110.858 175.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.68 6.64 6.79 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -162.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 70.58 -106.85 1.97 Allowed Glycine 0 C--O 1.216 -0.999 0 CA-C-O 123.031 1.351 . . . . 0.0 111.353 -178.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -120.61 -46.18 2.38 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.513 -2.169 . . . . 0.0 110.458 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -52.7 -82.77 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 -174.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -19.18 64.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.657 1.117 . . . . 0.0 111.354 177.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -17.51 63.72 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 120.168 1.349 . . . . 0.0 111.824 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -54.9 2.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 124.051 0.94 . . . . 0.0 108.82 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.12 -37.51 15.58 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.731 1.605 . . . . 0.0 114.889 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -56.19 4.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 172.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.78 24.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -52.47 -38.93 60.48 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 128.406 2.682 . . . . 0.0 111.445 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -53.09 -34.77 58.11 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -12.75 61.04 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.706 -1.246 . . . . 0.0 110.986 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' TRP . . . . . 0.519 ' CH2' HD13 ' A' ' 140' ' ' LEU . 7.4 m95 -78.85 -18.35 54.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 120.69 -1.256 . . . . 0.0 112.565 169.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.03 -57.2 12.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 161.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.35 -50.31 74.12 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.775 1.23 . . . . 0.0 112.312 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.425 ' HB3' HD23 ' A' ' 137' ' ' LEU . 42.2 mtp -84.29 -12.24 55.0 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.414 -0.804 . . . . 0.0 112.802 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.29 7.3 88.56 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 119.338 0.972 . . . . 0.0 115.406 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 135' ' ' MET . 3.9 mm? -79.32 80.85 5.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.127 1.464 . . . . 0.0 108.539 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -55.09 -46.42 75.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.498 177.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.1 p -46.87 -53.35 12.32 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 126.473 1.909 . . . . 0.0 111.183 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.637 HD11 ' HE1' ' A' ' 73' ' ' PHE . 89.5 mt -68.34 -40.71 81.48 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.754 -0.591 . . . . 0.0 110.864 -174.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 20.6 t -60.59 -43.84 96.9 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.271 0.487 . . . . 0.0 110.414 173.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.88 -63.55 1.06 Allowed 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.397 1.479 . . . . 0.0 108.88 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -53.54 -26.04 19.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.478 1.49 . . . . 0.0 113.152 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.65 63.58 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.14 1.336 . . . . 0.0 113.126 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 . . . . . 0 CA--C 1.536 0.406 0 CA-C-N 120.822 1.646 . . . . 0.0 112.747 -163.056 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 122.161 0.981 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.03 176.2 4.58 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.456 1.102 . . . . 0.0 109.695 164.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.518 ' HA3' ' CE3' ' A' ' 64' ' ' TRP . . . -132.72 -174.69 13.69 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 122.026 -0.421 . . . . 0.0 112.971 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.02 -46.77 50.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 125.048 1.308 . . . . 0.0 110.741 169.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.54 65.04 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 126.515 1.926 . . . . 0.0 106.065 163.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.518 ' CE3' ' HA3' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -150.53 -66.31 0.2 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.722 -0.611 . . . . 0.0 110.808 -174.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.88 -113.47 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -47.84 -22.01 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 127.629 2.372 . . . . 0.0 113.744 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.43 -51.13 37.54 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.309 1.413 . . . . 0.0 109.662 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.58 -11.24 60.57 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.87 -42.37 63.74 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 119.891 1.223 . . . . 0.0 109.547 171.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -57.7 -45.95 85.01 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.67 17.06 0.58 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.534 1.134 . . . . 0.0 112.904 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -24.06 13.76 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.86 -1.15 . . . . 0.0 110.263 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -67.09 -49.59 64.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.576 0.625 . . . . 0.0 109.403 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -96.8 151.64 19.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.093 0.949 . . . . 0.0 111.884 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -126.83 -168.75 1.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 128.606 2.763 . . . . 0.0 107.108 -175.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -27.84 34.85 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 0.0 112.821 -171.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.17 -34.97 4.66 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -143.37 -9.07 0.75 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 170.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.18 -37.53 83.26 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.922 2.146 . . . . 0.0 111.747 171.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HE3' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -62.15 -52.81 62.32 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.677 169.56 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.65 -37.6 73.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.659 1.118 . . . . 0.0 111.034 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.85 -59.12 5.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 119.055 0.843 . . . . 0.0 111.087 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -63.08 -23.64 67.54 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.753 -0.592 . . . . 0.0 112.232 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.06 -65.84 0.79 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 127.649 2.38 . . . . 0.0 109.932 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 mt -50.36 -44.35 54.64 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.114 2.166 . . . . 0.0 111.329 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 127' ' ' LEU . 2.3 tp -40.89 -59.23 1.48 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.553 2.341 . . . . 0.0 110.923 168.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.76 -20.16 64.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.023 0.529 . . . . 0.0 112.169 -171.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -77.64 -51.33 10.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -54.09 50.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.019 1.328 . . . . 0.0 109.409 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 24.15 91.29 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 129.694 3.198 . . . . 0.0 113.227 167.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -52.92 -8.37 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.672 2.389 . . . . 0.0 116.822 -160.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -50.67 -60.14 3.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.372 1.469 . . . . 0.0 110.786 165.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 59.4 104.14 0.02 OUTLIER 'General case' 0 C--N 1.342 0.272 0 C-N-CA 127.094 2.157 . . . . 0.0 110.705 -163.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -150.77 170.16 19.91 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.572 1.149 . . . . 0.0 108.689 171.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m -72.75 49.96 0.24 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.501 2.32 . . . . 0.0 113.287 -172.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.21 -45.56 0.13 Allowed 'General case' 0 N--CA 1.462 0.16 0 O-C-N 121.001 -1.062 . . . . 0.0 109.991 168.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.24 37.08 63.47 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 123.302 0.477 . . . . 0.0 112.493 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -136.69 173.07 12.1 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 127.103 2.161 . . . . 0.0 106.928 168.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 p -109.23 159.0 32.9 Favored Pre-proline 0 N--CA 1.449 -0.524 0 C-N-CA 124.517 1.127 . . . . 0.0 109.472 164.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.36 167.07 28.02 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.477 2.118 . . . . 0.0 111.347 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.88 115.26 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 129.151 2.98 . . . . 0.0 113.262 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -61.42 142.39 93.91 Favored Pre-proline 0 C--O 1.238 0.461 0 C-N-CA 125.012 1.325 . . . . 0.0 110.885 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -72.9 155.42 53.27 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 121.706 1.604 . . . . 0.0 112.291 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -142.75 14.07 1.92 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -174.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.67 120.64 41.58 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -168.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.266 12.9 t -109.88 -35.13 6.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.494 -168.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.6 t -79.25 161.86 26.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 120.578 1.535 . . . . 0.0 108.583 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.46 -42.69 90.03 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 170.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 30.6 mtm -55.04 -39.94 69.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 122.038 0.923 . . . . 0.0 111.099 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.75 -42.0 59.04 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.426 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.49 -25.24 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.387 0.675 . . . . 0.0 109.948 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 109' ' ' MET . . . -66.46 -65.39 0.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.028 -1.045 . . . . 0.0 111.618 174.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.4 m -65.64 -16.96 64.23 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.49 -54.97 10.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.716 1.206 . . . . 0.0 109.191 169.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.19 -34.76 76.87 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.577 -0.702 . . . . 0.0 111.946 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.24 -23.33 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 121.83 -0.544 . . . . 0.0 110.907 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.25 -47.59 17.59 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.018 -1.051 . . . . 0.0 109.5 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -52.4 -46.53 66.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.816 0.846 . . . . 0.0 110.064 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.75 -77.48 0.59 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.962 0.905 . . . . 0.0 110.241 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 151.14 -172.78 30.71 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 105.208 -3.157 . . . . 0.0 105.208 -162.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.93 -42.89 85.76 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.445 2.123 . . . . 0.0 110.204 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.61 -79.6 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.637 1.175 . . . . 0.0 111.284 -168.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -70.46 -4.99 25.38 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 117.335 -1.317 . . . . 0.0 112.061 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.04 -72.75 0.14 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 120.457 1.481 . . . . 0.0 107.75 160.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -72.05 -40.6 68.23 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -165.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.16 -40.51 81.62 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.026 -1.046 . . . . 0.0 111.067 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 86' ' ' LEU . 3.4 tt -77.28 -36.55 54.18 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.877 1.271 . . . . 0.0 109.315 176.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.99 78.31 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.446 -1.409 . . . . 0.0 111.566 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.11 -20.79 65.84 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.634 1.573 . . . . 0.0 112.524 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -75.91 -47.3 25.83 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.871 -0.518 . . . . 0.0 110.875 161.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.7 m -61.78 -25.76 67.67 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.486 -1.384 . . . . 0.0 111.315 -168.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -76.21 -21.3 56.61 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.268 -1.52 . . . . 0.0 112.546 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -36.57 84.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.974 1.31 . . . . 0.0 109.275 167.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.92 -59.82 3.47 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.355 0.662 . . . . 0.0 109.511 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -61.75 -47.79 83.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.129 0.877 . . . . 0.0 112.369 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.86 41.98 1.75 Allowed Glycine 0 CA--C 1.522 0.52 0 CA-C-N 118.715 0.689 . . . . 0.0 111.817 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.453 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.7 mm? -104.12 70.64 0.99 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 118.542 1.171 . . . . 0.0 108.268 173.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -60.31 -32.52 71.3 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.629 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -57.09 -42.27 80.39 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 119.099 -0.477 . . . . 0.0 110.552 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.793 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.5 mm? -71.8 -48.82 43.82 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 118.662 0.665 . . . . 0.0 109.316 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.25 -27.64 47.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.288 1.035 . . . . 0.0 112.43 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.43 -61.65 1.88 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.224 1.41 . . . . 0.0 109.407 171.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -49.31 -42.16 40.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.9 2.08 . . . . 0.0 111.913 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -20.1 52.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.398 1.879 . . . . 0.0 113.299 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -127.2 -7.82 5.9 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.428 1.491 . . . . 0.0 112.259 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.9 0.91 2.15 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.722 2.409 . . . . 0.0 114.033 -171.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.67 13.93 61.88 Favored Glycine 0 CA--C 1.532 1.126 0 O-C-N 121.411 -0.805 . . . . 0.0 112.363 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -115.37 -25.07 8.12 Favored 'General case' 0 N--CA 1.461 0.114 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -158.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 67.82 41.81 87.8 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.688 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.59 -171.45 0.19 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.933 1.693 . . . . 0.0 110.018 -164.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.532 0.28 0 O-C-N 121.468 -0.77 . . . . 0.0 109.042 178.519 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.411 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 97.44 105.72 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 131.545 3.938 . . . . 0.0 110.835 -171.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.61 -0.13 0.53 Allowed Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.245 2.355 . . . . 0.0 116.965 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.21 10.27 78.13 Favored Glycine 0 N--CA 1.466 0.648 0 CA-C-N 120.122 1.961 . . . . 0.0 112.204 -161.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.43 -2.0 2.8 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 125.636 1.575 . . . . 0.0 110.964 -171.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.37 -78.46 0.06 Allowed 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.751 -1.218 . . . . 0.0 109.825 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 51.35 -114.1 2.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -25.39 61.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 118.259 -0.876 . . . . 0.0 112.277 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -50.81 -50.95 55.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 119.836 1.198 . . . . 0.0 111.0 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.12 -21.7 66.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.515 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.74 -35.48 77.16 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.011 1.278 . . . . 0.0 111.278 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -65.65 -44.17 87.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.333 0.97 . . . . 0.0 108.702 172.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt -72.68 -2.58 20.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.4 0.68 . . . . 0.0 112.58 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.11 -7.6 55.44 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.295 1.438 . . . . 0.0 111.673 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -84.11 -69.13 0.66 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 120.074 1.307 . . . . 0.0 108.974 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.16 165.94 12.76 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 111.98 178.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -132.13 -167.72 1.93 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.803 2.041 . . . . 0.0 107.397 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' H ' ' HD2' ' A' ' 76' ' ' LYS . 9.8 mptt -51.54 -29.28 16.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.37 1.468 . . . . 0.0 112.033 -166.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -42.46 -43.33 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.918 2.087 . . . . 0.0 112.386 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -125.8 -28.95 3.17 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.698 0.799 . . . . 0.0 110.137 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.9 tp -50.39 -34.7 25.24 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 119.44 -2.038 . . . . 0.0 113.09 170.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -52.53 63.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.098 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.25 -44.41 79.63 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 116.698 -1.62 . . . . 0.0 109.752 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.86 -61.39 2.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 121.204 1.82 . . . . 0.0 110.17 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -66.01 -26.14 67.4 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.38 -1.45 . . . . 0.0 112.023 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -57.46 3.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.045 -1.035 . . . . 0.0 110.759 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.05 -21.78 34.0 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.013 1.325 . . . . 0.0 112.085 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -68.19 0.39 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.43 78.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.933 1.293 . . . . 0.0 111.489 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -67.04 -19.0 65.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.325 1.45 . . . . 0.0 113.518 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -83.02 -54.12 5.3 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 166.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.25 -61.18 2.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.845 2.058 . . . . 0.0 111.0 -165.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.11 151.95 1.79 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.536 1.934 . . . . 0.0 107.799 174.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t 60.61 -164.37 0.23 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.343 1.057 . . . . 0.0 111.129 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.99 -47.61 1.5 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.468 1.107 . . . . 0.0 109.696 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t 50.23 87.49 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 126.844 2.058 . . . . 0.0 112.63 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -146.42 105.3 3.86 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 160.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 p -154.76 142.88 20.27 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.98 1.6 51.58 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.327 0.965 . . . . 0.0 112.885 -172.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.45 165.26 12.33 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.707 0.803 . . . . 0.0 112.555 -154.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m 66.76 142.06 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 129.464 3.105 . . . . 0.0 111.785 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -73.94 -179.45 4.63 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.492 2.795 . . . . 0.0 109.632 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.89 52.09 12.54 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.166 0.986 . . . . 0.0 109.049 -163.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -67.5 139.5 94.32 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.39 149.72 40.24 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 124.825 3.683 . . . . 0.0 111.601 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -136.46 90.71 2.59 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -131.99 101.01 5.25 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 160.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -132.3 65.95 1.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.697 1.199 . . . . 0.0 107.928 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 65.8 m -134.12 143.57 48.05 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 166.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.66 46.09 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.001 0.81 . . . . 0.0 111.179 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.1 mtm -54.18 -35.8 62.72 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.418 1.087 . . . . 0.0 112.476 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -90.56 -40.79 11.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.986 -167.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.48 -37.25 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 167.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.72 66.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.353 0.979 . . . . 0.0 112.549 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -60.08 -29.2 68.41 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.066 -0.396 . . . . 0.0 111.178 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.34 -43.1 58.05 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.4 1.48 . . . . 0.0 110.239 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.94 -42.41 76.76 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.375 -0.828 . . . . 0.0 110.665 -172.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.82 -30.87 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.908 0.776 . . . . 0.0 110.05 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.03 -0.18 26.91 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -117.41 -40.28 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 0.0 109.646 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.22 -17.51 10.78 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.904 1.681 . . . . 0.0 114.667 -172.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.95 155.97 0.96 Allowed Glycine 0 CA--C 1.53 1.007 0 CA-C-N 119.6 1.091 . . . . 0.0 111.155 -165.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -8.51 12.18 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -170.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -68.41 -81.62 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.761 0.824 . . . . 0.0 109.111 166.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.28 -28.66 70.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.679 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.29 -16.75 48.88 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.64 1.109 . . . . 0.0 112.115 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -113.32 -46.99 3.04 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 119.568 1.076 . . . . 0.0 111.767 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.97 -32.83 68.24 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.521 1.055 . . . . 0.0 112.094 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.7 tt -81.49 -37.06 28.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.622 -1.299 . . . . 0.0 110.018 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.43 76.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.659 0.784 . . . . 0.0 110.944 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.79 -34.36 67.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.481 -0.762 . . . . 0.0 110.567 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -70.16 -57.35 5.03 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.493 1.042 . . . . 0.0 110.675 167.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.5 m -39.42 -47.6 1.82 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.623 1.969 . . . . 0.0 113.767 -163.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.619 ' CZ3' HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -92.17 -3.04 56.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -173.396 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -55.71 -53.72 53.16 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.714 159.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -67.09 -17.5 64.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.363 -0.827 . . . . 0.0 112.597 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.5 mtm -80.68 -8.93 59.8 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.117 1.326 . . . . 0.0 112.773 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.82 43.02 85.27 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 120.044 1.293 . . . . 0.0 112.404 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.725 ' HB2' HD23 ' A' ' 140' ' ' LEU 0.583 0.0 OUTLIER -126.72 59.02 1.39 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.405 1.482 . . . . 0.0 111.617 170.836 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -57.62 -25.17 59.73 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.4 m -63.79 -22.93 67.15 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.073 1.306 . . . . 0.0 113.12 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.725 HD23 ' HB2' ' A' ' 137' ' ' LEU . 2.5 mm? -64.23 -57.29 9.9 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.111 1.365 . . . . 0.0 108.405 168.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -49.22 24.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.67 1.588 . . . . 0.0 109.941 176.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.34 25.2 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -54.66 -36.98 65.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.813 0.733 . . . . 0.0 112.228 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.64 -21.13 9.65 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.358 1.463 . . . . 0.0 113.034 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -133.75 16.48 3.93 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.862 1.21 . . . . 0.0 111.534 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -130.02 75.97 1.69 Allowed 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.65 1.58 . . . . 0.0 108.2 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 72.98 -19.22 1.27 Allowed Glycine 0 CA--C 1.533 1.211 0 CA-C-O 117.878 -1.512 . . . . 0.0 113.912 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 94.92 7.16 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 130.371 3.468 . . . . 0.0 111.792 -173.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 104.64 -162.32 14.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 -169.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -68.71 174.13 4.57 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.721 0.809 . . . . 0.0 109.401 169.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.451 -0.423 0 O-C-N 121.91 -0.494 . . . . 0.0 110.495 -178.029 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.6 ppp? . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -100.48 102.14 13.26 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.795 1.238 . . . . 0.0 109.314 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.43 -80.33 0.03 OUTLIER Glycine 0 CA--C 1.522 0.526 0 C-N-CA 125.69 1.614 . . . . 0.0 109.666 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.67 60.32 0.04 OUTLIER Glycine 0 C--N 1.333 0.407 0 CA-C-O 118.549 -1.139 . . . . 0.0 111.657 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.552 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . 55.7 40.34 30.86 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.911 1.284 . . . . 0.0 112.538 -171.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -134.31 -162.19 1.22 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 172.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.29 -79.18 0.31 Allowed Glycine 0 CA--C 1.508 -0.355 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 mtm105 -41.84 -52.29 4.05 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.153 1.381 . . . . 0.0 111.686 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -55.56 -44.98 77.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.771 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.82 60.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.87 0.759 . . . . 0.0 111.877 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -66.38 -58.89 4.33 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.342 1.457 . . . . 0.0 109.427 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -65.4 -37.55 87.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 120.717 -1.239 . . . . 0.0 110.733 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.48 -1.94 7.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.817 1.647 . . . . 0.0 112.367 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -101.27 -20.64 15.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 110.671 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' HE2' HD11 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -64.07 -53.71 45.47 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 119.901 1.228 . . . . 0.0 108.166 178.303 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.4 154.29 24.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.637 1.208 . . . . 0.0 110.437 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -120.46 179.6 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.226 1.811 . . . . 0.0 106.8 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -27.73 0.64 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.574 1.55 . . . . 0.0 114.023 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -31.07 -61.32 0.19 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.996 2.118 . . . . 0.0 112.061 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -118.19 -25.79 6.53 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.988 1.715 . . . . 0.0 110.669 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.1 -31.96 71.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.245 1.418 . . . . 0.0 111.028 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -68.0 0.35 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 115.534 -2.174 . . . . 0.0 110.107 172.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' CD1' ' A' ' 85' ' ' LEU . 14.4 mt-10 -28.83 -61.95 0.12 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 125.815 1.947 . . . . 0.0 109.01 166.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -50.99 -66.8 0.32 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.381 1.446 . . . . 0.0 113.914 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -31.68 72.58 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.97 -1.706 . . . . 0.0 112.551 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 85' ' ' LEU . 3.8 tt -72.48 -62.01 1.59 Allowed 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.332 2.253 . . . . 0.0 109.628 -177.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -58.72 -31.25 68.1 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 128.805 2.842 . . . . 0.0 111.55 177.723 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.01 -56.31 13.84 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.584 1.154 . . . . 0.0 109.021 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.65 81.36 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.661 0.384 . . . . 0.0 110.495 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -55.87 -58.79 6.4 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.91 0.884 . . . . 0.0 110.508 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.83 64.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.758 -172.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.93 -71.97 0.16 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 172.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.56 106.29 0.08 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.432 1.893 . . . . 0.0 109.951 -176.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -148.06 -76.94 0.17 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.114 163.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.3 ttm-85 -159.81 146.1 16.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.032 1.287 . . . . 0.0 110.533 164.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 p -80.5 53.3 1.81 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.639 1.176 . . . . 0.0 112.466 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.7 m -157.94 -162.31 1.14 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 128.804 2.842 . . . . 0.0 106.892 175.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 p -118.25 146.25 44.42 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.91 1.284 . . . . 0.0 107.638 157.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.89 28.39 2.01 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.7 1.619 . . . . 0.0 111.347 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 58.06 94.68 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 129.038 2.935 . . . . 0.0 113.509 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 45.0 p -58.24 133.86 84.64 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.542 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.57 172.37 15.3 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.878 1.719 . . . . 0.0 112.952 -163.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.71 65.04 2.41 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.171 1.389 . . . . 0.0 110.689 174.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -83.68 159.46 60.83 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 158.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.03 -168.01 0.56 Allowed 'Trans proline' 0 N--CA 1.455 -0.756 1 C-N-CA 125.469 4.113 . . . . 0.0 109.723 160.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 48.98 56.71 7.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 127.073 2.149 . . . . 0.0 111.539 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 -170.73 3.09 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.492 1.917 . . . . 0.0 109.284 -175.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.26 5.7 t 60.61 -11.51 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 128.17 2.588 . . . . 0.0 116.131 173.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 m -134.8 145.46 48.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.717 1.144 . . . . 0.0 109.253 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.64 70.06 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 119.58 -0.566 . . . . 0.0 111.982 -169.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.3 ptp -68.06 -20.89 65.01 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -54.1 5.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.48 -33.44 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.352 1.061 . . . . 0.0 109.235 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.81 -56.6 17.66 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.252 1.021 . . . . 0.0 112.684 173.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -35.53 74.8 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.286 0.366 . . . . 0.0 110.44 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -35.37 78.87 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.969 0.508 . . . . 0.0 109.652 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tp -68.62 -45.11 72.78 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 120.587 -1.321 . . . . 0.0 110.228 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 63' ' ' ALA . 4.4 t -67.97 -23.25 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.945 0.898 . . . . 0.0 110.52 174.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.73 -30.28 40.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.556 -1.34 . . . . 0.0 111.405 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -78.61 -48.18 15.65 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.524 -1.36 . . . . 0.0 110.558 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 123' ' ' ARG . 71.8 m-85 -128.1 -36.66 1.94 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 117.23 -1.367 . . . . 0.0 113.672 -172.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.55 -121.76 5.21 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 119.468 1.031 . . . . 0.0 111.515 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -118.87 -23.61 6.89 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.639 -1.506 . . . . 0.0 112.045 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -73.74 -90.96 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.283 1.033 . . . . 0.0 108.365 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.457 ' HB3' ' CD2' ' A' ' 119' ' ' TYR . 1.5 mpp_? -59.9 -26.18 65.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.032 -1.042 . . . . 0.0 113.306 -173.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.76 -18.99 58.14 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.493 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.519 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -118.32 -51.96 2.4 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.562 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -45.92 -34.8 4.13 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.147 1.779 . . . . 0.0 114.503 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.03 -39.02 11.88 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 119.926 -1.734 . . . . 0.0 109.867 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 125' ' ' TRP . . . -52.51 -45.44 66.25 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.006 1.722 . . . . 0.0 111.541 174.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -57.8 -48.19 80.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.713 1.205 . . . . 0.0 110.275 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -34.56 64.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.103 0.961 . . . . 0.0 111.444 172.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.1 m -67.59 -27.99 67.38 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.452 -1.405 . . . . 0.0 110.25 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -68.95 -27.6 65.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.334 -0.854 . . . . 0.0 111.017 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.83 -35.81 75.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.317 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -58.77 -43.8 90.48 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.504 1.047 . . . . 0.0 110.226 170.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 50.4 mtp -74.66 -11.19 60.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.67 13.15 63.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.291 0.95 . . . . 0.0 114.539 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 HD12 ' A' ' 140' ' ' LEU 0.663 0.0 OUTLIER -118.5 63.41 0.77 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.886 1.843 . . . . 0.0 114.796 -179.047 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -55.66 -19.55 11.04 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 120.073 -1.642 . . . . 0.0 113.71 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.64 -46.84 5.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 120.387 1.449 . . . . 0.0 113.566 165.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.582 HD12 HD23 ' A' ' 137' ' ' LEU . 58.4 mt -72.05 -41.13 67.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -176.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 39.3 t -57.88 -42.17 84.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.306 1.442 . . . . 0.0 110.861 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.19 -70.28 0.22 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.16 2.184 . . . . 0.0 109.373 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.73 -35.54 61.3 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.63 1.104 . . . . 0.0 111.719 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.93 68.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 117.383 -1.294 . . . . 0.0 113.756 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -100.54 -24.8 14.38 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.769 1.622 . . . . 0.0 111.194 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.15 9.7 4.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.898 1.679 . . . . 0.0 111.431 -170.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 159.16 -23.17 0.31 Allowed Glycine 0 CA--C 1.521 0.436 0 C-N-CA 125.999 1.762 . . . . 0.0 111.929 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 65.5 -84.58 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 126.121 1.768 . . . . 0.0 112.151 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 174.02 165.78 31.16 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 127.013 2.244 . . . . 0.0 108.452 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -127.89 -89.94 0.52 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 174.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.447 -0.58 0 C-N-CA 128.496 2.718 . . . . 0.0 105.333 173.488 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 122.972 1.368 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.76 29.72 19.29 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.88 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.59 57.2 0.58 Allowed Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 -172.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -120.38 -46.15 0.37 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 125.732 1.634 . . . . 0.0 111.263 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.61 -17.15 49.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -102.7 -67.87 0.86 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.229 -168.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.35 -107.71 0.73 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.312 1.434 . . . . 0.0 111.695 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -29.53 3.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.327 1.851 . . . . 0.0 113.232 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -37.73 -48.15 1.05 Allowed 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 126.458 1.903 . . . . 0.0 112.367 173.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.04 -25.62 65.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 118.341 -0.838 . . . . 0.0 112.208 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.14 -38.09 66.39 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.539 1.063 . . . . 0.0 111.007 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -61.64 -15.45 39.82 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.252 1.021 . . . . 0.0 110.836 171.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 mt -118.96 13.27 13.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.782 2.033 . . . . 0.0 110.734 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -114.5 -26.74 7.8 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.001 1.72 . . . . 0.0 109.375 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -57.55 -31.1 65.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.871 0.468 . . . . 0.0 110.634 178.267 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.71 159.71 21.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.421 1.888 . . . . 0.0 109.659 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -124.46 -171.49 2.35 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.504 1.922 . . . . 0.0 107.216 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -11.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 126.451 1.9 . . . . 0.0 115.902 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -37.39 -55.87 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 125.658 1.583 . . . . 0.0 112.218 156.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -144.31 -18.33 0.56 Allowed 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 124.731 1.212 . . . . 0.0 110.936 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 tp -55.57 -34.83 65.13 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 119.471 -2.018 . . . . 0.0 111.29 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -62.64 1.7 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.451 1.9 . . . . 0.0 110.907 164.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.0 -34.44 42.72 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.624 1.102 . . . . 0.0 110.285 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -58.47 -60.05 4.41 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.35 0.977 . . . . 0.0 110.931 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -64.23 -14.49 55.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.001 0.819 . . . . 0.0 112.908 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -86.9 -61.74 1.66 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.816 1.246 . . . . 0.0 108.939 178.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.87 -21.01 62.83 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.944 1.298 . . . . 0.0 110.186 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.579 HD21 HD21 ' A' ' 115' ' ' LEU . 12.3 tp -58.22 -61.38 2.61 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.23 1.412 . . . . 0.0 108.991 173.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.41 -21.3 66.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -72.64 -25.66 61.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.306 1.042 . . . . 0.0 112.268 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -86.26 -41.49 14.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.241 166.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.63 168.14 3.94 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.865 0.841 . . . . 0.0 112.797 -172.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -133.69 -52.43 0.86 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.259 1.024 . . . . 0.0 111.951 -165.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -143.78 147.86 34.77 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.777 1.231 . . . . 0.0 111.083 -169.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 mtm105 -126.85 -103.63 0.34 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.319 1.448 . . . . 0.0 108.803 -175.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.44 74.89 1.6 Allowed 'General case' 0 C--O 1.233 0.213 0 N-CA-C 105.179 -2.156 . . . . 0.0 105.179 173.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.9 m 54.33 -175.44 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.859 0.864 . . . . 0.0 111.82 -160.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.81 95.09 0.87 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 161.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.96 7.6 10.06 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-O 118.418 -1.212 . . . . 0.0 113.913 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.85 135.21 56.82 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 118.883 1.341 . . . . 0.0 111.216 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.9 p -73.99 148.66 87.05 Favored Pre-proline 0 C--O 1.24 0.559 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 157.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.34 166.68 22.7 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.95 2.433 . . . . 0.0 111.874 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 66.8 152.41 0.07 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 129.182 2.993 . . . . 0.0 112.593 -170.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -75.23 138.14 71.92 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.467 -179.094 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.25 130.4 15.17 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 123.463 2.775 . . . . 0.0 110.42 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.83 73.01 4.89 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.485 1.114 . . . . 0.0 108.02 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -133.82 114.06 12.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 169.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.269 14.0 t -140.07 73.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -140.36 136.78 33.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.52 -54.76 30.68 Favored Glycine 0 CA--C 1.524 0.598 0 O-C-N 123.691 0.62 . . . . 0.0 111.913 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -17.19 64.55 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.037 1.335 . . . . 0.0 113.614 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -87.64 -60.34 2.0 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.4 t -54.41 -27.53 17.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.861 0.864 . . . . 0.0 109.269 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.76 -57.3 11.41 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.927 1.291 . . . . 0.0 114.224 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.9 t -55.17 -38.29 68.11 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.223 0.609 . . . . 0.0 109.793 174.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.32 -47.25 57.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.625 1.17 . . . . 0.0 109.721 -171.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.579 HD21 HD21 ' A' ' 86' ' ' LEU . 7.9 mt -60.71 -48.92 79.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 119.186 0.903 . . . . 0.0 110.445 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -38.19 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.836 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.19 71.69 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.867 0.758 . . . . 0.0 110.941 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -68.26 -60.68 2.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.496 1.118 . . . . 0.0 111.607 -172.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -93.92 -19.24 21.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.247 -166.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.42 168.51 44.29 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -161.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.05 -29.04 67.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -160.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.14 -71.06 0.19 Allowed 'General case' 0 C--N 1.343 0.323 0 CA-C-N 120.201 1.364 . . . . 0.0 110.524 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -59.04 -25.42 63.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.111 1.364 . . . . 0.0 110.375 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.57 -13.02 18.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.467 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -121.08 -50.46 2.15 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 124.139 0.975 . . . . 0.0 110.216 161.075 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -55.85 -21.69 21.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 129.651 3.18 . . . . 0.0 115.546 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -48.23 4.75 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.059 1.344 . . . . 0.0 108.252 169.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.5 -46.59 13.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.249 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -57.58 -42.77 83.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 125.331 1.452 . . . . 0.0 111.547 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.09 -44.59 97.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.7 m -58.71 -22.36 57.23 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.79 -0.569 . . . . 0.0 111.965 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.406 ' CZ2' HD12 ' A' ' 140' ' ' LEU . 7.3 m0 -72.86 -29.71 63.41 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.809 -1.182 . . . . 0.0 112.376 173.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -30.57 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.739 0.7 . . . . 0.0 110.293 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -83.6 -29.71 27.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.579 1.552 . . . . 0.0 112.177 175.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.91 -33.36 75.43 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.949 1.25 . . . . 0.0 112.11 170.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 114.12 -1.81 24.05 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 117.796 -1.558 . . . . 0.0 114.136 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.428 ' HB3' HD23 ' A' ' 140' ' ' LEU . 16.1 mt -101.9 86.15 2.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 119.363 1.581 . . . . 0.0 109.001 -154.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -46.95 87.77 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 t -59.52 -37.14 77.57 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.547 0.739 . . . . 0.0 110.769 -173.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.443 HD21 ' CE2' ' A' ' 73' ' ' PHE . 1.9 mm? -64.0 -51.11 65.81 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.63 0.772 . . . . 0.0 109.454 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.81 -45.92 91.76 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.067 0.547 . . . . 0.0 110.721 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.74 64.25 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.572 1.149 . . . . 0.0 109.221 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -63.06 -11.07 16.98 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.693 -1.255 . . . . 0.0 112.741 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -96.74 -5.59 38.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.524 -1.36 . . . . 0.0 113.379 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -148.67 49.99 1.0 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.223 1.809 . . . . 0.0 109.946 -175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -141.54 20.87 2.2 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.639 1.976 . . . . 0.0 112.505 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.51 11.35 38.7 Favored Glycine 0 CA--C 1.523 0.552 0 O-C-N 120.737 -1.227 . . . . 0.0 112.521 175.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.82 79.84 1.6 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.101 1.361 . . . . 0.0 108.821 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 114.59 -95.4 0.72 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 125.501 1.524 . . . . 0.0 109.538 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 45.8 m170 54.75 -178.87 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.76 1.624 . . . . 0.0 112.166 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.235 0.307 0 C-N-CA 127.914 2.486 . . . . 0.0 107.288 167.677 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.829 0.347 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.18 179.98 2.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.242 1.817 . . . . 0.0 111.962 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.33 2.83 55.66 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.444 1.021 . . . . 0.0 111.663 -165.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.87 67.14 1.6 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -158.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . 61.36 27.89 17.44 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 117.646 2.461 . . . . 0.0 117.646 156.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -117.3 -178.31 3.42 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 168.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.2 -107.4 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.5 mmt-85 -61.86 -8.95 5.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.612 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' A' ' 125' ' ' TRP . 6.6 mt -42.07 -55.7 3.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.567 1.147 . . . . 0.0 109.968 166.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.87 0.45 7.24 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 8.3 t -93.31 -46.55 7.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.169 1.388 . . . . 0.0 109.33 167.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' HB3' HD12 ' A' ' 140' ' ' LEU . 16.3 m-85 -61.32 -46.51 89.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.784 0.834 . . . . 0.0 109.738 176.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.11 6.77 2.51 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.719 1.208 . . . . 0.0 112.026 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.46 17.09 6.49 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.528 2.731 . . . . 0.0 108.681 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -79.81 -60.31 2.4 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 151.494 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 122.094 0.949 . . . . 0.0 112.362 -169.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -131.63 -161.25 1.11 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.646 1.578 . . . . 0.0 109.729 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' H ' ' HD2' ' A' ' 76' ' ' LYS . 7.4 mptt -59.3 -21.17 59.28 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.867 1.212 . . . . 0.0 111.901 -172.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -45.62 -58.36 3.48 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.508 1.123 . . . . 0.0 109.531 167.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -124.53 -31.7 3.21 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.28 0.632 . . . . 0.0 110.274 -156.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -57.46 -42.01 81.71 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -47.42 60.11 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 116.823 -1.56 . . . . 0.0 109.171 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.86 -54.38 29.79 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.852 1.206 . . . . 0.0 109.379 170.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.02 -12.11 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -44.5 14.46 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.577 1.08 . . . . 0.0 108.29 169.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.59 -54.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.168 1.787 . . . . 0.0 110.262 -170.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.15 -22.62 63.09 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.267 1.027 . . . . 0.0 110.489 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -59.38 3.76 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.636 1.575 . . . . 0.0 107.784 173.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.3 72.84 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.0 0.364 . . . . 0.0 110.401 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.56 -42.28 99.44 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.303 1.041 . . . . 0.0 109.783 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -62.59 -76.53 0.06 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.673 1.189 . . . . 0.0 108.777 173.087 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 39.21 -168.73 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.805 2.442 . . . . 0.0 113.229 -166.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -150.97 -35.42 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.506 -1.371 . . . . 0.0 111.438 176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 m -151.94 147.58 26.73 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.377 2.271 . . . . 0.0 106.168 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.72 -87.14 0.31 Allowed 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 158.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.0 m -141.84 -171.23 3.3 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.114 2.166 . . . . 0.0 107.584 170.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -59.01 -179.62 0.07 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.318 1.447 . . . . 0.0 111.983 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.9 p -38.38 90.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.922 2.489 . . . . 0.0 114.744 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.8 43.13 1.38 Allowed Glycine 0 C--N 1.334 0.434 0 CA-C-O 119.057 -0.857 . . . . 0.0 111.652 -165.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -62.53 121.35 13.09 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.963 0.881 . . . . 0.0 109.784 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -166.42 157.08 11.08 Favored Pre-proline 0 C--O 1.239 0.531 0 C-N-CA 127.195 2.198 . . . . 0.0 107.843 173.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.54 154.07 35.12 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.749 2.3 . . . . 0.0 110.584 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.16 160.74 11.98 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.29 -0.881 . . . . 0.0 111.329 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -136.98 149.14 65.61 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 124.787 1.235 . . . . 0.0 110.933 -171.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.2 160.47 23.33 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.889 3.059 . . . . 0.0 112.453 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -113.27 13.92 19.23 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.996 0.919 . . . . 0.0 112.762 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.02 160.53 17.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.948 0.499 . . . . 0.0 110.824 176.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -139.02 -21.09 0.96 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.11 161.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m -124.92 150.11 46.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.94 1.245 . . . . 0.0 111.032 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.35 -21.2 68.27 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.941 1.257 . . . . 0.0 113.679 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.1 ptp -62.33 -30.47 71.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.611 0.705 . . . . 0.0 112.719 168.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -22.1 14.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.579 0.627 . . . . 0.0 110.968 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.92 -35.5 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 O-C-N 120.974 -1.079 . . . . 0.0 110.118 168.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.99 77.4 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.48 80.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.206 0.603 . . . . 0.0 111.128 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -44.38 87.36 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.586 0.754 . . . . 0.0 109.169 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.71 -38.65 80.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.751 -1.218 . . . . 0.0 112.046 -173.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 63' ' ' ALA . 63.4 t -65.72 -28.33 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 118.527 0.603 . . . . 0.0 109.668 173.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.89 -48.3 59.22 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.731 1.15 . . . . 0.0 110.657 169.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -59.89 -42.88 94.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 112.579 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -138.23 -8.06 1.54 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.44 161.04 10.96 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-N 120.763 1.62 . . . . 0.0 110.83 -164.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.63 -23.25 64.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.509 1.524 . . . . 0.0 114.477 -166.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -57.9 -75.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.582 1.153 . . . . 0.0 109.842 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -28.27 67.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.48 -173.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.93 47.93 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.531 -0.747 . . . . 0.0 112.585 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.67 ' CD1' HD11 ' A' ' 129' ' ' LEU . 2.0 t-105 -115.94 -42.53 3.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.195 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.08 -42.75 39.89 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.188 -1.57 . . . . 0.0 112.318 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -36.88 46.7 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.49 0.662 . . . . 0.0 110.896 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.26 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.544 1.938 . . . . 0.0 111.798 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.67 HD11 ' CD1' ' A' ' 125' ' ' TRP . 4.5 mt -56.11 -43.94 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 126.074 1.75 . . . . 0.0 109.915 -175.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -61.91 -41.37 97.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.219 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.1 m -57.35 -22.58 43.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 111.183 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -75.88 -14.34 60.27 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.356 -1.465 . . . . 0.0 112.897 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.27 -22.8 61.16 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.722 1.147 . . . . 0.0 111.437 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.92 -58.27 6.59 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 167.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 26.2 mtp -81.03 -17.58 49.75 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -162.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.23 13.0 29.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 120.01 1.277 . . . . 0.0 114.696 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.421 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.3 mm? -97.76 64.48 1.77 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 120.966 -1.314 . . . . 0.0 110.94 -168.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -59.26 -48.27 82.26 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 m -63.92 -15.46 59.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.422 HD11 ' CD2' ' A' ' 73' ' ' PHE . 3.9 mm? -77.9 -50.13 12.82 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.881 1.218 . . . . 0.0 109.372 169.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.9 -32.17 70.51 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.768 0.827 . . . . 0.0 111.392 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.51 -72.13 0.14 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 108.471 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -45.68 -45.07 13.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.935 1.294 . . . . 0.0 113.357 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.37 -22.38 4.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.397 1.479 . . . . 0.0 114.074 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -128.87 3.51 5.38 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.039 2.536 . . . . 0.0 110.454 -168.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -132.33 64.43 1.6 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-O 123.616 1.674 . . . . 0.0 110.182 -168.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.67 -2.07 39.22 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 114.427 -1.26 . . . . 0.0 113.257 172.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 25.5 -94.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 130.04 3.336 . . . . 0.0 113.324 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 155.62 94.25 0.1 Allowed Glycine 0 C--N 1.337 0.605 0 CA-C-O 119.913 -0.382 . . . . 0.0 112.223 172.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 61.6 m80 65.31 161.89 0.14 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.258 3.023 . . . . 0.0 113.053 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 126.932 2.093 . . . . 0.0 110.389 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.9 mtp . . . . . 0 C--O 1.234 0.259 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.21 158.43 24.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.806 0.843 . . . . 0.0 111.153 173.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 135.8 -166.26 24.63 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 106.68 -2.568 . . . . 0.0 106.68 -177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.17 -33.01 86.08 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 116.961 -2.022 . . . . 0.0 114.898 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . 154.74 49.97 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.784 2.434 . . . . 0.0 110.941 -166.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -153.25 143.17 22.12 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.952 1.701 . . . . 0.0 108.974 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 -90.9 0.3 Allowed Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 163.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.31 -10.85 26.75 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.153 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tp -50.36 -49.38 54.36 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.191 1.359 . . . . 0.0 110.045 163.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.0 66.51 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.99 -39.58 92.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.227 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -72.64 0.47 10.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.835 1.254 . . . . 0.0 113.306 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.46 16.09 14.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.061 0.846 . . . . 0.0 111.689 -171.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.08 -18.46 10.05 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.831 0.852 . . . . 0.0 112.23 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -68.19 -45.25 73.92 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 170.681 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.97 156.31 26.01 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.041 1.401 . . . . 0.0 110.523 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -126.33 -177.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 126.208 1.803 . . . . 0.0 107.63 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.9 -16.24 16.63 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.974 -165.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.91 -61.1 2.23 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 119.594 1.088 . . . . 0.0 109.655 165.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.39 -31.69 10.81 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.662 0.785 . . . . 0.0 110.501 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.0 -40.94 81.99 Favored 'General case' 0 C--N 1.338 0.085 0 O-C-N 120.82 -1.175 . . . . 0.0 109.23 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -69.76 -51.25 35.69 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.32 -46.07 69.3 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 118.95 0.796 . . . . 0.0 110.932 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CE2' ' HB ' ' A' ' 131' ' ' THR . 31.0 t80 -53.95 -56.05 21.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 119.587 1.085 . . . . 0.0 111.503 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -63.07 -33.71 76.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.395 0.678 . . . . 0.0 112.177 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.66 -61.24 1.86 Allowed 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.114 -1.616 . . . . 0.0 108.682 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.5 mt -57.17 -49.01 77.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.003 2.121 . . . . 0.0 109.913 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 86' ' ' LEU . 5.5 tt -59.74 -50.87 72.16 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.048 1.295 . . . . 0.0 109.907 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.95 69.7 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.387 -0.821 . . . . 0.0 111.799 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -66.5 -47.6 72.46 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.452 1.024 . . . . 0.0 109.866 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HG3' ' CE1' ' A' ' 130' ' ' HIS . 7.9 tmtt? -50.57 -57.55 7.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.954 2.102 . . . . 0.0 110.171 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.28 -20.48 63.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.51 1.124 . . . . 0.0 112.584 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . 0.257 2.9 p80 27.75 -126.65 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 128.094 2.558 . . . . 0.0 111.41 -167.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 24.41 77.84 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 C-N-CA 129.61 3.164 . . . . 0.0 114.884 160.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -135.83 59.91 1.7 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 156.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.5 m 49.13 -157.28 0.07 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.44 1.496 . . . . 0.0 112.961 168.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.1 m -55.44 150.39 11.83 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.297 1.039 . . . . 0.0 110.169 169.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.7 m -71.32 179.26 2.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.962 1.305 . . . . 0.0 110.708 173.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.78 -29.04 0.03 OUTLIER Glycine 0 CA--C 1.524 0.64 0 CA-C-O 117.103 -1.943 . . . . 0.0 113.697 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 43.41 94.41 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.929 2.492 . . . . 0.0 114.775 168.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.2 p -68.89 162.06 67.25 Favored Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 120.789 -1.194 . . . . 0.0 113.483 -167.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.61 -170.62 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.683 2.922 . . . . 0.0 110.904 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 65.76 173.27 0.23 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 127.72 2.408 . . . . 0.0 111.559 -167.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -68.09 128.69 93.25 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.2 141.22 35.49 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.323 2.016 . . . . 0.0 110.789 -164.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.42 59.2 1.06 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.769 2.428 . . . . 0.0 111.259 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -133.92 173.98 10.97 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 125.622 1.569 . . . . 0.0 110.612 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.411 0.0 OUTLIER 65.6 -26.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 129.973 3.309 . . . . 0.0 114.152 176.817 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.41 137.42 32.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 169.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.27 -56.94 14.78 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 124.66 1.124 . . . . 0.0 112.536 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 ptp -60.49 -30.82 69.95 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -29.27 64.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.145 0.884 . . . . 0.0 110.882 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.03 -24.96 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 121.546 -0.721 . . . . 0.0 109.793 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.37 -48.84 71.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.786 1.175 . . . . 0.0 110.112 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.4 m -55.77 -31.18 62.36 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.602 0.761 . . . . 0.0 111.742 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -46.63 13.7 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.297 0.953 . . . . 0.0 111.745 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.3 mt -68.44 -44.02 75.8 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.703 1.138 . . . . 0.0 111.398 -171.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 63' ' ' ALA . 22.1 t -64.66 -28.33 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 118.701 0.682 . . . . 0.0 109.756 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.76 -12.6 59.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -90.31 -46.21 8.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.523 1.056 . . . . 0.0 110.407 167.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -120.28 -16.73 8.41 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -156.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.52 172.72 3.04 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-O 123.286 1.492 . . . . 0.0 111.063 -164.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -12.91 1.21 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.616 2.366 . . . . 0.0 114.362 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -75.21 -87.99 0.03 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 120.345 1.43 . . . . 0.0 110.136 167.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -67.44 -15.9 63.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.408 -169.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.64 -11.07 14.72 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 121.068 1.758 . . . . 0.0 112.554 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -51.83 2.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 123.359 0.664 . . . . 0.0 110.636 164.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -35.81 62.82 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -169.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.98 -48.89 11.64 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.18 59.37 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.962 1.305 . . . . 0.0 112.347 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.86 -49.18 20.62 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.75 2.02 . . . . 0.0 111.917 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.428 ' CE1' ' HG3' ' A' ' 89' ' ' LYS . 0.1 OUTLIER -57.18 -36.0 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.913 -0.492 . . . . 0.0 110.857 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.414 ' HB ' ' CE2' ' A' ' 82' ' ' PHE . 30.7 m -68.26 -21.46 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.22 -0.925 . . . . 0.0 110.411 -168.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -67.12 -35.54 79.99 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.752 -0.593 . . . . 0.0 111.242 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.87 -43.86 97.67 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -48.07 83.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.388 1.475 . . . . 0.0 111.595 177.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.416 ' HB3' HD23 ' A' ' 137' ' ' LEU . 9.3 mtm -76.05 -10.28 59.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.099 0.863 . . . . 0.0 112.995 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.41 88.84 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.345 -1.253 . . . . 0.0 114.72 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 135' ' ' MET . 4.4 mm? -79.01 83.2 5.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.866 1.833 . . . . 0.0 109.682 -170.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -63.33 -48.28 78.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.553 -174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -32.39 72.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.449 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 73' ' ' PHE . 89.3 mt -62.15 -48.56 79.54 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.683 1.583 . . . . 0.0 110.416 173.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -34.49 75.6 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.571 0.349 . . . . 0.0 110.719 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.29 50.81 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.522 1.129 . . . . 0.0 108.916 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -59.93 -25.48 65.2 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.079 1.352 . . . . 0.0 111.928 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.65 60.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.483 1.113 . . . . 0.0 113.551 172.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -137.28 3.25 2.59 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.591 1.542 . . . . 0.0 112.302 -169.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -132.99 -0.26 3.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.733 -1.229 . . . . 0.0 113.786 -167.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 57.81 32.98 66.75 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 123.92 0.771 . . . . 0.0 112.537 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.22 73.54 3.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 169.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -104.9 177.55 23.42 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 168.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -90.09 -175.88 4.7 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 167.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 156.869 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 122.941 1.353 . . . . 0.0 114.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.83 107.38 16.41 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 126.471 1.908 . . . . 0.0 107.352 167.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.37 -169.58 2.5 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 125.005 1.288 . . . . 0.0 111.919 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.72 -43.61 60.05 Favored Glycine 0 CA--C 1.528 0.87 0 O-C-N 122.077 -0.66 . . . . 0.0 112.125 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -176.72 44.9 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.482 1.513 . . . . 0.0 108.997 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -138.19 -63.04 0.57 Allowed 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.51 0.724 . . . . 0.0 109.177 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.61 -107.39 2.19 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 171.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.71 -18.5 65.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 117.058 -1.448 . . . . 0.0 112.16 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.45 -44.11 62.28 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 110.626 -169.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.6 -38.37 45.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.576 1.55 . . . . 0.0 113.292 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.61 -43.78 93.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.735 1.214 . . . . 0.0 110.939 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -66.02 -26.31 67.47 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.196 -0.94 . . . . 0.0 110.668 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.7 mt -93.66 8.93 38.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.677 1.991 . . . . 0.0 111.687 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -112.12 -19.69 12.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.137 1.375 . . . . 0.0 111.786 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -53.87 39.64 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -82.37 151.62 26.58 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.539 1.135 . . . . 0.0 109.817 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -119.63 -176.91 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 125.803 1.641 . . . . 0.0 108.376 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -37.05 0.66 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.595 1.558 . . . . 0.0 114.676 -174.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -25.22 -63.63 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.276 2.63 . . . . 0.0 112.149 164.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -120.22 -17.79 8.19 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.568 1.076 . . . . 0.0 111.504 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.83 -20.71 62.21 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.688 -1.258 . . . . 0.0 111.48 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -55.62 5.76 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 117.039 -1.457 . . . . 0.0 111.564 164.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -52.94 -48.04 67.62 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.144 0.884 . . . . 0.0 109.463 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.424 ' CE2' ' HB ' ' A' ' 131' ' ' THR . 52.7 t80 -51.37 -60.54 3.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.134 0.425 . . . . 0.0 112.146 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.49 -26.15 65.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.853 0.751 . . . . 0.0 112.372 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -54.96 4.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.728 1.211 . . . . 0.0 110.047 -177.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.99 -28.56 62.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.37 0.668 . . . . 0.0 109.326 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 127' ' ' LEU . 7.8 tt -69.35 -53.35 19.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.78 95.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.772 0.429 . . . . 0.0 110.626 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.09 -37.11 83.81 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.864 0.302 . . . . 0.0 110.589 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 130' ' ' HIS . 15.3 tppt? -68.92 -46.0 69.42 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.952 1.301 . . . . 0.0 109.894 175.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.99 91.67 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.704 0.802 . . . . 0.0 113.113 -176.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . 0.277 0.1 OUTLIER 30.95 -158.64 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.169 2.987 . . . . 0.0 114.318 -160.542 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -51.93 164.68 0.25 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.78 2.432 . . . . 0.0 112.548 169.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.32 -15.53 60.95 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.286 -0.884 . . . . 0.0 112.972 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 t -144.41 169.22 18.35 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.332 1.853 . . . . 0.0 106.892 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.2 t -44.6 -72.08 0.07 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.555 1.942 . . . . 0.0 111.696 -170.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.3 m 46.82 -158.37 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.145 1.378 . . . . 0.0 111.409 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -166.27 11.0 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 O-C-N 120.216 -1.553 . . . . 0.0 114.423 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.93 163.0 28.48 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 118.491 1.145 . . . . 0.0 109.879 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -77.99 142.22 64.26 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -168.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.43 166.46 29.74 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 123.308 2.672 . . . . 0.0 110.852 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.3 166.21 31.65 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.759 0.823 . . . . 0.0 111.007 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -140.06 149.66 59.31 Favored Pre-proline 0 N--CA 1.443 -0.812 0 C-N-CA 124.456 1.102 . . . . 0.0 110.266 170.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -80.27 -166.38 0.41 Allowed 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 125.291 3.994 . . . . 0.0 111.476 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -110.5 65.84 0.62 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.222 1.809 . . . . 0.0 109.237 -176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -146.5 116.56 7.34 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.691 1.196 . . . . 0.0 108.847 -168.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -145.29 17.98 1.54 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -175.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.7 m -116.74 139.35 50.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.068 -1.645 . . . . 0.0 110.899 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -44.71 -54.24 6.77 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 126.829 2.157 . . . . 0.0 113.942 -166.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.4 ptm -65.16 -27.69 68.89 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.684 0.742 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.9 -28.4 22.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.437 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.7 t -68.05 -36.53 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 120.342 1.428 . . . . 0.0 107.203 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.91 40.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 112.719 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -61.79 -24.89 67.14 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.394 -0.816 . . . . 0.0 112.335 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -77.81 -37.47 48.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.852 1.261 . . . . 0.0 110.662 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.12 -39.94 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 119.942 -1.724 . . . . 0.0 111.049 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.27 -26.37 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 121.891 -0.505 . . . . 0.0 110.221 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.94 68.82 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.303 -0.873 . . . . 0.0 110.309 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.1 -46.56 90.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.634 0.774 . . . . 0.0 110.764 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -123.45 -64.0 1.19 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.06 173.15 14.31 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 -160.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -50.59 15.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.325 1.85 . . . . 0.0 111.436 -167.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.25 -72.24 0.08 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.483 1.113 . . . . 0.0 111.344 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -71.53 -22.43 61.77 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.122 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.71 -17.5 63.07 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.106 1.321 . . . . 0.0 111.025 172.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -111.76 -50.6 2.91 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 119.428 1.013 . . . . 0.0 112.669 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -50.68 -47.68 58.77 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.752 1.615 . . . . 0.0 111.903 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 86' ' ' LEU . 1.4 tt -70.7 -33.91 71.38 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -175.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.53 -46.19 76.97 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 118.696 -0.669 . . . . 0.0 111.015 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -48.27 70.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 124.614 1.166 . . . . 0.0 110.334 175.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' NE2' ' HE3' ' A' ' 89' ' ' LYS . 36.0 t60 -53.32 -51.73 61.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.846 0.748 . . . . 0.0 110.543 171.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.424 ' HB ' ' CE2' ' A' ' 82' ' ' PHE . 28.8 m -65.28 -26.46 68.09 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.537 -0.727 . . . . 0.0 110.932 -169.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -66.65 -33.63 76.08 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.098 -1.001 . . . . 0.0 111.246 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -19.06 65.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 124.353 1.061 . . . . 0.0 111.32 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.22 -17.69 51.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.692 1.197 . . . . 0.0 111.597 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 31.9 mtp -111.66 -11.08 14.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.396 1.079 . . . . 0.0 112.163 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.85 28.04 57.5 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.653 -1.082 . . . . 0.0 113.208 176.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.07 81.68 5.59 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.255 2.027 . . . . 0.0 109.898 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -54.44 -45.27 73.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 117.531 -1.223 . . . . 0.0 112.587 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.6 p -62.53 -27.89 69.47 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.965 1.257 . . . . 0.0 111.79 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 37.5 mt -68.56 -55.35 11.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.732 0.696 . . . . 0.0 109.348 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.74 -44.74 81.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.172 0.442 . . . . 0.0 111.606 176.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.5 -61.0 2.74 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.1 1.36 . . . . 0.0 109.32 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -56.07 -38.19 70.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 120.091 1.314 . . . . 0.0 111.155 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.98 5.93 0.59 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.527 1.131 . . . . 0.0 114.026 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -138.67 -16.61 1.14 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.477 1.911 . . . . 0.0 112.243 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -82.99 78.15 9.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 127.917 2.487 . . . . 0.0 107.463 -169.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.0 7.86 83.15 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 113.374 -1.739 . . . . 0.0 113.568 163.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -135.65 -96.68 0.24 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 165.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 68.24 -87.66 0.19 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 125.821 1.677 . . . . 0.0 113.395 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -145.49 -68.35 0.29 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 126.737 2.015 . . . . 0.0 111.361 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 ptp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.96 170.88 15.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.579 1.552 . . . . 0.0 108.086 165.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -119.83 112.97 2.35 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 104.862 -3.295 . . . . 0.0 104.862 170.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.82 92.67 0.29 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 108.07 -2.012 . . . . 0.0 108.07 -171.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 55.65 35.03 24.45 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.929 1.017 . . . . 0.0 111.723 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -139.08 167.77 21.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 167.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.78 -94.92 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -59.98 -22.15 62.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.716 0.807 . . . . 0.0 112.162 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -43.74 -49.63 7.9 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 125.496 1.518 . . . . 0.0 110.361 172.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.81 -28.97 67.91 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 117.357 -1.306 . . . . 0.0 111.485 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.3 t -58.88 -57.06 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 121.364 1.893 . . . . 0.0 109.989 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -60.92 -15.79 34.97 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.25 1.02 . . . . 0.0 111.983 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.94 1.57 22.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.503 2.321 . . . . 0.0 111.613 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -107.6 -17.56 14.07 Favored 'General case' 0 C--O 1.23 0.079 0 C-N-CA 126.058 1.743 . . . . 0.0 110.391 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -70.97 -32.44 69.29 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.474 1.034 . . . . 0.0 111.567 179.322 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -102.74 160.39 14.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.588 1.555 . . . . 0.0 111.244 -175.204 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -124.14 -170.6 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -30.63 39.67 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.864 -166.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -27.2 -54.39 0.08 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.941 2.496 . . . . 0.0 111.499 167.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.401 ' CB ' HD12 ' A' ' 74' ' ' LEU . 35.8 mm-40 -123.46 -31.17 3.55 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.267 1.427 . . . . 0.0 109.853 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.91 -36.54 77.21 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 119.67 -1.894 . . . . 0.0 112.376 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -64.01 -47.17 81.33 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.011 175.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.71 -48.38 81.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.601 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -47.23 -60.61 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.411 1.084 . . . . 0.0 110.659 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -20.57 65.24 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -51.73 4.95 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.362 1.065 . . . . 0.0 111.071 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.45 -27.62 62.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.215 1.406 . . . . 0.0 109.376 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.22 -55.08 15.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.264 1.426 . . . . 0.0 109.943 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.01 64.25 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.016 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -79.61 -42.66 24.46 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.336 1.054 . . . . 0.0 110.685 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HE3' ' CE1' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -53.09 -48.67 67.59 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 125.185 1.394 . . . . 0.0 110.194 175.268 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.22 -66.75 0.4 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.654 0.781 . . . . 0.0 109.058 167.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.82 165.05 0.13 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.678 1.991 . . . . 0.0 110.597 -159.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 t -161.86 -57.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 166.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.83 127.28 0.0 OUTLIER 'General case' 0 C--N 1.339 0.128 0 C-N-CA 127.312 2.245 . . . . 0.0 110.51 -154.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -108.31 -58.01 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 161.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.8 p -152.12 -179.68 7.72 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.451 1.9 . . . . 0.0 108.135 169.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.2 m 58.39 -176.58 0.08 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.675 1.19 . . . . 0.0 112.804 -175.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.42 -90.41 1.21 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 106.477 -2.649 . . . . 0.0 106.477 154.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.07 161.38 30.23 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.701 0.762 . . . . 0.0 112.717 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.7 p -64.54 150.92 92.91 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.147 0.979 . . . . 0.0 111.89 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -75.76 171.25 18.55 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.647 2.232 . . . . 0.0 109.817 170.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.52 -164.9 0.12 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 122.441 1.115 . . . . 0.0 111.754 171.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -100.42 143.73 27.09 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 114.309 -1.314 . . . . 0.0 108.775 166.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.04 178.55 4.02 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.675 3.583 . . . . 0.0 111.034 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -107.75 14.98 25.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 148.42 31.68 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.03 -174.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.284 0.7 OUTLIER -144.3 -53.34 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 160.636 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -129.88 154.92 46.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.84 0.712 . . . . 0.0 109.297 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.52 88.29 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.563 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.4 ptp -60.42 -36.44 78.18 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.908 1.354 . . . . 0.0 112.33 175.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.85 -39.25 18.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.328 1.051 . . . . 0.0 109.949 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -28.15 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 167.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.52 67.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.95 0.795 . . . . 0.0 111.801 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -42.34 69.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.849 0.86 . . . . 0.0 110.832 174.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -38.25 87.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -89.41 -35.21 16.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.802 -0.618 . . . . 0.0 112.404 -170.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.81 -26.36 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.187 0.903 . . . . 0.0 109.214 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.56 74.01 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.285 0.948 . . . . 0.0 111.471 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -60.66 -48.26 82.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.671 0.788 . . . . 0.0 111.442 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -113.36 -73.28 0.67 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.988 0.915 . . . . 0.0 110.777 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.89 7.85 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 106.559 -2.617 . . . . 0.0 106.559 -160.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -16.02 59.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.689 1.744 . . . . 0.0 113.952 -165.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -54.99 -83.84 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.566 1.546 . . . . 0.0 109.066 166.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -22.55 60.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 121.458 -0.777 . . . . 0.0 111.872 -173.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -18.44 65.32 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.518 1.054 . . . . 0.0 111.152 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.405 ' HE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -106.19 -59.09 1.83 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 116.978 -1.486 . . . . 0.0 110.288 171.679 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -44.53 -45.3 9.25 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.098 1.772 . . . . 0.0 113.81 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.15 -35.68 59.1 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.047 1.403 . . . . 0.0 109.466 -173.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.18 -26.47 56.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.722 2.009 . . . . 0.0 112.214 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.44 -62.37 1.91 Allowed 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' CE1' ' HE3' ' A' ' 89' ' ' LYS . 8.2 t-80 -46.5 -41.94 14.87 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 124.208 0.943 . . . . 0.0 111.069 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.5 m -56.65 -14.38 3.2 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.714 1.206 . . . . 0.0 113.457 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.401 ' CD1' ' C ' ' A' ' 132' ' ' TRP . 0.5 OUTLIER -52.25 -35.0 48.65 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.806 1.185 . . . . 0.0 111.297 170.216 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -31.87 73.15 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 126.013 1.725 . . . . 0.0 110.095 -170.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -78.95 -32.9 45.65 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.382 1.073 . . . . 0.0 111.544 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.415 ' HE2' HD11 ' A' ' 137' ' ' LEU . 83.4 mtp -85.88 -32.78 21.48 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.759 -1.213 . . . . 0.0 112.902 -178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.63 -21.67 36.07 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.86 1.695 . . . . 0.0 113.523 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.415 HD11 ' HE2' ' A' ' 135' ' ' MET 0.575 0.0 OUTLIER -79.13 63.75 3.86 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.188 1.494 . . . . 0.0 114.534 -178.82 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.14 -58.44 7.65 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.528 -1.225 . . . . 0.0 112.017 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -41.33 62.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.61 1.164 . . . . 0.0 111.159 -170.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.652 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -41.24 -61.84 0.95 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 128.284 2.634 . . . . 0.0 111.801 174.803 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 95.2 m -91.23 -39.06 12.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 112.375 -2.193 . . . . 0.0 107.397 -163.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.77 -55.29 6.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.008 0.923 . . . . 0.0 108.802 167.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -54.83 -19.85 7.4 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.405 ' HB1' ' HE1' ' A' ' 125' ' ' TRP . . . -67.22 -12.83 61.1 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.581 -1.324 . . . . 0.0 113.447 172.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -167.0 53.14 0.08 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.101 2.161 . . . . 0.0 111.482 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -151.98 99.24 2.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.134 2.173 . . . . 0.0 109.132 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.7 -27.54 1.89 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.194 0.902 . . . . 0.0 113.911 163.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.42 -142.09 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 127.451 2.3 . . . . 0.0 107.851 162.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -73.86 165.08 54.83 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 173.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . 0.264 0.6 OUTLIER 64.91 179.61 0.18 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 128.048 2.539 . . . . 0.0 111.81 -164.61 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 46.3 p . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 122.955 0.502 . . . . 0.0 110.253 -173.739 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.465 0.295 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.02 123.01 25.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.902 1.281 . . . . 0.0 109.731 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.12 -39.47 0.05 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 107.975 -2.05 . . . . 0.0 107.975 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.07 -63.22 0.16 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 107.544 -2.222 . . . . 0.0 107.544 160.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . -153.38 31.62 0.47 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.362 1.065 . . . . 0.0 112.063 -171.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -131.23 -165.43 1.56 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.928 1.291 . . . . 0.0 108.022 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.87 -94.13 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 174.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -47.56 -30.21 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 127.104 2.162 . . . . 0.0 114.596 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.76 -28.48 56.2 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.838 0.855 . . . . 0.0 111.57 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.97 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.568 -0.73 . . . . 0.0 111.001 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 91.7 m -60.6 -38.05 83.4 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.687 0.676 . . . . 0.0 110.569 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.16 -48.07 77.43 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -78.74 15.49 1.04 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.955 1.302 . . . . 0.0 113.399 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.32 -15.78 9.7 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.877 1.271 . . . . 0.0 110.914 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CE1' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -60.4 -50.25 74.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.986 -1.071 . . . . 0.0 108.803 174.481 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.96 166.06 20.18 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 127.988 2.515 . . . . 0.0 109.945 170.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -132.54 -163.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 126.309 1.843 . . . . 0.0 106.17 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -62.56 -2.34 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.59 -48.05 39.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.488 1.04 . . . . 0.0 110.567 157.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.68 -16.32 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.766 1.166 . . . . 0.0 112.155 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.6 tp -49.17 -43.51 42.07 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.665 1.575 . . . . 0.0 110.734 169.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -61.8 -54.57 40.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.998 1.319 . . . . 0.0 108.66 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.41 -48.81 71.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.918 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.75 -48.39 81.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.28 0.945 . . . . 0.0 110.386 -177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.9 -37.51 79.6 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.023 -1.048 . . . . 0.0 111.348 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -83.68 -47.06 11.61 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.857 0.863 . . . . 0.0 112.508 -172.129 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.56 -26.54 68.63 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 116.636 -1.65 . . . . 0.0 108.116 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 86' ' ' LEU . 5.3 tt -72.67 -50.78 22.71 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.21 1.368 . . . . 0.0 108.051 175.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.33 64.02 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.564 0.62 . . . . 0.0 110.958 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -71.43 -46.75 59.3 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.53 -0.731 . . . . 0.0 111.133 172.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -52.31 20.91 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.386 1.474 . . . . 0.0 110.308 176.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 40.7 -151.81 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.949 2.9 . . . . 0.0 111.472 -175.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -145.79 15.02 1.38 Allowed 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.214 -0.929 . . . . 0.0 112.523 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.0 t -145.22 177.47 8.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 119.325 0.966 . . . . 0.0 110.025 -173.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.37 96.96 0.38 Allowed 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 164.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.11 167.85 16.84 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.28 -177.64 4.71 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 125.993 1.717 . . . . 0.0 110.572 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.33 159.12 2.82 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.586 -0.696 . . . . 0.0 110.54 164.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.33 -47.54 22.28 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.38 -0.678 . . . . 0.0 111.968 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.262 9.3 pt-20 43.52 93.59 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.469 3.108 . . . . 0.0 115.468 167.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.284 0.4 OUTLIER 56.96 175.73 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 125.524 1.529 . . . . 0.0 110.96 -174.768 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.93 152.55 16.77 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 CA-C-N 120.717 1.292 . . . . 0.0 109.26 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.76 74.22 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -124.17 155.09 68.45 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 124.228 1.011 . . . . 0.0 111.191 -172.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -90.22 170.63 3.95 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 124.249 3.299 . . . . 0.0 113.053 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.86 65.1 4.1 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.869 1.668 . . . . 0.0 109.142 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -136.57 124.41 22.62 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.666 1.187 . . . . 0.0 108.992 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 t -147.26 29.08 0.97 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.007 0.432 . . . . 0.0 111.858 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -116.82 139.26 50.8 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 161.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.63 -46.1 38.29 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 119.082 0.856 . . . . 0.0 111.926 172.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.21 -38.35 79.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.04 0.92 . . . . 0.0 112.965 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -87.34 -27.1 23.03 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.388 -0.82 . . . . 0.0 110.938 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.06 -45.19 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 163.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.47 -47.72 81.12 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.976 1.262 . . . . 0.0 112.062 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -36.12 71.33 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.071 0.548 . . . . 0.0 112.04 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.58 73.1 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 123.821 0.849 . . . . 0.0 108.796 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 tp -72.01 -39.31 69.3 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.918 -169.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.411 HG11 ' HB3' ' A' ' 63' ' ' ALA . 83.3 t -63.11 -43.24 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.167 0.894 . . . . 0.0 109.692 170.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.83 81.71 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.298 0.953 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -67.15 -60.23 2.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.323 1.449 . . . . 0.0 111.245 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -112.47 -13.57 13.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -159.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.02 157.12 4.79 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.615 1.102 . . . . 0.0 110.929 -169.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -15.01 16.02 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.573 1.949 . . . . 0.0 115.094 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -65.49 -83.47 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.293 1.037 . . . . 0.0 108.405 165.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -65.69 -22.88 66.66 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.412 -0.805 . . . . 0.0 111.648 -172.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.75 -5.82 6.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.221 0.919 . . . . 0.0 113.249 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.66 -47.93 2.3 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.074 0.852 . . . . 0.0 109.904 154.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -34.81 40.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -171.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.35 -39.29 12.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.938 1.695 . . . . 0.0 109.881 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -40.79 63.23 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.705 -0.622 . . . . 0.0 111.411 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -47.29 85.8 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.975 174.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 15.3 t60 -51.7 -43.78 62.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.888 1.676 . . . . 0.0 110.603 174.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.7 m -62.62 -22.2 66.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.87 0.868 . . . . 0.0 111.704 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.523 ' CD2' ' HB2' ' A' ' 141' ' ' CYS . 0.0 OUTLIER -58.19 -45.12 88.13 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 176.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.79 72.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.204 1.002 . . . . 0.0 109.78 -166.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.01 -48.26 80.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.732 2.013 . . . . 0.0 110.734 174.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 9.7 mtm -83.18 -31.09 27.3 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.428 1.013 . . . . 0.0 112.443 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.83 18.09 52.18 Favored Glycine 0 CA--C 1.532 1.149 0 O-C-N 121.39 -0.819 . . . . 0.0 114.587 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.539 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.0 mm? -79.87 81.44 6.13 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.202 1.501 . . . . 0.0 109.772 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -45.62 -49.53 14.15 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.411 1.084 . . . . 0.0 112.147 -174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.3 m -59.55 -25.05 64.22 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 137' ' ' LEU . 3.0 mm? -72.38 -47.27 50.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 119.927 1.239 . . . . 0.0 109.226 -176.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 132' ' ' TRP . 22.5 t -69.25 -41.23 77.2 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.074 0.549 . . . . 0.0 111.168 175.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.08 -61.87 2.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.694 0.797 . . . . 0.0 109.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -60.29 -23.56 64.26 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 119.864 1.211 . . . . 0.0 112.663 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.32 -10.07 57.92 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.711 1.596 . . . . 0.0 112.088 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -145.21 20.61 1.57 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.116 1.366 . . . . 0.0 110.986 -167.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -143.28 84.86 1.83 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 127.317 2.247 . . . . 0.0 106.44 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.15 -37.28 1.52 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.274 0.94 . . . . 0.0 113.769 178.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 56.93 32.31 21.31 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 127.191 2.196 . . . . 0.0 114.658 174.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 103.62 -166.35 15.9 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.21 100.11 1.08 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 163.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.534 0.338 0 C-N-CA 128.715 2.806 . . . . 0.0 113.121 -170.904 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.419 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.372 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 59' ' ' MET . . . 81.69 104.23 0.06 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 127.363 2.265 . . . . 0.0 110.207 -171.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 157.99 -81.3 0.16 Allowed Glycine 0 N--CA 1.439 -1.116 0 N-CA-C 107.124 -2.391 . . . . 0.0 107.124 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.68 -56.01 4.73 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 124.029 0.823 . . . . 0.0 111.391 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . -58.98 -40.95 86.39 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 128.171 2.588 . . . . 0.0 114.22 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -79.01 -59.69 2.68 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 117.701 -1.599 . . . . 0.0 107.19 -160.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.0 -103.14 0.25 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -75.77 -12.68 60.23 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.832 1.253 . . . . 0.0 113.715 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.401 HD13 ' CZ3' ' A' ' 125' ' ' TRP . 19.6 tp -45.45 -48.7 13.82 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.074 1.75 . . . . 0.0 111.106 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.45 54.23 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.538 1.063 . . . . 0.0 113.269 -177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -38.3 73.79 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.413 1.006 . . . . 0.0 110.032 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -68.36 -8.74 42.73 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.059 0.944 . . . . 0.0 111.869 171.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.9 mt -120.85 9.39 10.66 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 119.924 1.238 . . . . 0.0 112.067 -173.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -7.87 10.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.503 1.047 . . . . 0.0 113.104 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CZ ' HD21 ' A' ' 140' ' ' LEU . 17.4 p90 -61.08 -24.07 65.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.949 0.5 . . . . 0.0 111.48 171.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.502 HD23 ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -113.26 167.99 10.1 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 128.958 2.903 . . . . 0.0 109.796 176.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -130.32 179.5 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.346 1.858 . . . . 0.0 107.238 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -38.47 0.99 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.269 1.428 . . . . 0.0 114.37 -169.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -25.73 -68.79 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.068 2.547 . . . . 0.0 112.311 164.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -106.85 -26.62 11.16 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.899 1.68 . . . . 0.0 109.017 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.412 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.0 tm? -60.9 -37.82 83.54 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.606 1.548 . . . . 0.0 112.181 177.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.48 -34.63 25.32 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.559 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.25 -46.48 72.63 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.958 1.253 . . . . 0.0 109.166 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -69.1 -15.56 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 119.934 -1.729 . . . . 0.0 114.149 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -84.86 -48.58 9.2 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.961 1.71 . . . . 0.0 109.353 162.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -43.69 81.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.439 -0.788 . . . . 0.0 111.462 -166.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 134' ' ' GLN . 73.0 mt -70.82 -21.37 62.47 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.577 1.551 . . . . 0.0 109.552 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.07 31.36 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 171.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.78 -16.45 63.81 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.281 0.632 . . . . 0.0 112.395 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -75.4 -46.65 31.58 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.252 1.021 . . . . 0.0 109.914 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -66.18 -36.57 83.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.138 -0.976 . . . . 0.0 109.809 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.82 147.54 14.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.338 1.055 . . . . 0.0 109.594 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.98 144.13 43.18 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.53 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 p -157.34 160.33 38.38 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 120.735 -1.228 . . . . 0.0 109.724 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -136.87 152.51 50.32 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 162.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -171.84 -177.4 1.95 Allowed 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.145 2.178 . . . . 0.0 106.889 -174.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -42.08 -71.94 0.07 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.331 1.852 . . . . 0.0 111.923 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 m -71.65 -13.68 61.82 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.09 -66.47 0.5 Allowed Glycine 0 C--O 1.225 -0.459 0 N-CA-C 107.515 -2.234 . . . . 0.0 107.515 -172.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -109.53 152.89 24.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.74 1.216 . . . . 0.0 108.889 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.1 p -92.72 152.31 41.71 Favored Pre-proline 0 N--CA 1.445 -0.705 0 C-N-CA 122.826 0.45 . . . . 0.0 110.015 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.67 154.83 72.11 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.268 1.978 . . . . 0.0 110.044 166.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.0 148.52 3.46 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 127.758 2.423 . . . . 0.0 106.481 158.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -97.05 147.26 32.66 Favored Pre-proline 0 CA--C 1.537 0.447 0 C-N-CA 123.395 0.678 . . . . 0.0 109.35 172.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -79.88 136.32 11.82 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.552 2.834 . . . . 0.0 110.805 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -144.84 39.83 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.842 1.657 . . . . 0.0 110.114 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -132.9 115.66 15.52 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.547 0.739 . . . . 0.0 109.201 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.1 t -138.54 -2.82 1.74 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.452 1.501 . . . . 0.0 111.559 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.13 151.57 45.57 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 120.387 -1.446 . . . . 0.0 111.859 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.65 -42.46 97.27 Favored Glycine 0 C--O 1.226 -0.382 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 ptp -58.29 -21.16 47.92 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.35 -27.47 9.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.037 1.335 . . . . 0.0 110.879 -172.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.51 -39.14 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 162.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.05 -57.97 9.55 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.242 1.017 . . . . 0.0 112.279 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.8 p -64.54 -20.81 66.45 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -46.19 42.61 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.871 1.268 . . . . 0.0 109.221 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.38 -43.25 81.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.347 -0.846 . . . . 0.0 110.855 -171.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.454 HG11 ' HB3' ' A' ' 63' ' ' ALA . 38.6 t -66.35 -12.49 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.825 0.85 . . . . 0.0 110.815 174.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -103.45 -2.4 26.95 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.246 1.418 . . . . 0.0 112.503 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -107.63 -34.04 7.12 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.201 1.4 . . . . 0.0 110.337 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.403 ' CG ' ' HB2' ' A' ' 123' ' ' ARG . 90.0 m-85 -123.83 -26.22 4.14 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -176.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.02 177.14 7.22 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-O 123.011 1.34 . . . . 0.0 110.124 -153.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.91 -19.82 65.38 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -161.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -61.08 -78.5 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.223 1.374 . . . . 0.0 110.125 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HB2' ' CG ' ' A' ' 119' ' ' TYR . 16.6 mmm180 -65.68 -28.51 69.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.932 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.13 -13.76 40.63 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.453 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.401 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 1.5 t-105 -113.83 -50.22 2.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 120.1 1.318 . . . . 0.0 110.997 164.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -48.04 -46.29 33.1 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.787 1.63 . . . . 0.0 112.324 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tt -76.3 -36.3 58.41 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.64 -1.287 . . . . 0.0 108.719 -177.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.21 99.38 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.261 -0.899 . . . . 0.0 110.433 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.9 -51.74 67.91 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.553 1.541 . . . . 0.0 108.696 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -54.94 -41.91 71.63 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.317 0.962 . . . . 0.0 112.003 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.2 m -62.84 -22.5 66.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.593 1.088 . . . . 0.0 111.06 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.4 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.65 -0.656 . . . . 0.0 110.429 173.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.7 -30.29 67.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.124 0.57 . . . . 0.0 110.323 -167.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.467 ' CG ' HD13 ' A' ' 85' ' ' LEU . 36.6 tp60 -69.24 -63.01 1.15 Allowed 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 127.234 2.214 . . . . 0.0 110.192 167.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.2 mtm -67.52 -23.16 65.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.41 8.19 64.48 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 120.027 1.285 . . . . 0.0 115.288 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.7 82.42 4.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.952 1.876 . . . . 0.0 111.329 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -41.9 96.05 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 120.939 -1.1 . . . . 0.0 111.896 -172.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -47.24 15.36 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.961 1.304 . . . . 0.0 110.616 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.547 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 4.6 mm? -67.43 -55.88 11.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.585 1.154 . . . . 0.0 109.796 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 10.3 t -60.51 -38.34 84.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.71 -67.73 0.33 Allowed 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 124.2 0.938 . . . . 0.0 108.616 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -59.02 -31.37 68.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.048 0.939 . . . . 0.0 112.282 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.84 -8.22 10.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.059 2.143 . . . . 0.0 114.226 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -134.63 -71.47 0.49 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.361 1.464 . . . . 0.0 107.971 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 28.36 85.87 0.01 OUTLIER 'General case' 0 C--O 1.233 0.221 0 C-N-CA 130.067 3.347 . . . . 0.0 112.102 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 91.77 -4.75 79.22 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.838 1.209 . . . . 0.0 112.407 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.8 97.75 1.14 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.756 1.278 . . . . 0.0 107.66 163.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -124.31 4.69 8.85 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 117.578 -1.679 . . . . 0.0 115.381 -168.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 95.95 116.86 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 130.185 3.394 . . . . 0.0 107.459 -168.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -165.712 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . 0.261 24.3 ptm . . . . . 0 C--O 1.235 0.316 0 CA-C-O 122.991 1.377 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.19 141.66 58.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 120.891 -1.131 . . . . 0.0 109.048 163.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.71 179.7 46.37 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 107.382 -2.287 . . . . 0.0 107.382 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.71 61.53 3.8 Favored Glycine 0 C--O 1.22 -0.722 0 N-CA-C 107.894 -2.082 . . . . 0.0 107.894 171.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.628 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . 70.31 25.44 4.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.235 1.414 . . . . 0.0 114.442 -175.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.7 p-90 -142.68 175.54 9.73 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.001 1.32 . . . . 0.0 107.601 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.04 -90.78 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -51.74 -34.07 37.55 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.544 1.172 . . . . 0.0 113.379 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.6 pp -52.13 -28.48 18.07 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.61 -15.64 61.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.508 1.049 . . . . 0.0 112.537 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.9 m -76.4 -40.13 51.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.307 0.958 . . . . 0.0 111.054 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -56.93 -35.28 68.87 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 mp -80.66 13.18 2.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.989 2.116 . . . . 0.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -138.14 -4.17 1.73 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.064 2.146 . . . . 0.0 110.399 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -45.94 85.73 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.371 -1.456 . . . . 0.0 108.182 164.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.16 164.38 12.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.328 2.251 . . . . 0.0 109.462 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -125.72 -170.99 2.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.23 1.812 . . . . 0.0 107.278 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HD3' HD23 ' A' ' 79' ' ' LEU . 53.6 mmtt -60.29 -12.05 8.02 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -38.15 -72.91 0.05 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.978 1.711 . . . . 0.0 110.532 156.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -112.82 -17.98 12.39 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.969 1.258 . . . . 0.0 109.914 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.45 HD23 ' HD3' ' A' ' 76' ' ' LYS . 31.0 tp -55.88 -44.02 77.74 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 120.42 1.464 . . . . 0.0 110.937 175.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -47.87 68.8 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.515 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.39 -55.03 20.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 120.644 1.566 . . . . 0.0 110.003 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CD2' ' CZ3' ' A' ' 132' ' ' TRP . 31.0 t80 -45.5 -58.3 3.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.433 0.693 . . . . 0.0 110.682 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.25 -26.67 62.1 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.111 -0.993 . . . . 0.0 111.761 -172.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.74 -59.32 4.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.493 1.517 . . . . 0.0 108.445 173.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.64 -43.15 84.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.261 1.824 . . . . 0.0 110.681 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.41 -43.62 88.69 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.152 0.887 . . . . 0.0 110.024 178.08 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.44 67.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 120.951 -1.093 . . . . 0.0 110.818 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -53.94 -52.23 61.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.373 1.469 . . . . 0.0 108.949 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -56.31 -47.67 78.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.033 1.733 . . . . 0.0 110.823 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.56 -18.79 64.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -175.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . 0.266 0.1 OUTLIER 31.22 103.57 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 131.462 3.905 . . . . 0.0 116.255 -172.164 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.0 t -150.75 -177.05 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 119.035 -2.291 . . . . 0.0 108.814 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -135.69 94.87 3.14 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.868 1.267 . . . . 0.0 109.699 -175.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.9 t -162.61 94.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p 176.78 -176.62 0.14 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.629 2.372 . . . . 0.0 108.344 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -58.02 163.37 2.81 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.402 -0.811 . . . . 0.0 108.817 149.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.46 -43.04 88.23 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 172.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.57 94.26 2.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.536 0.734 . . . . 0.0 111.515 -174.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.292 0.6 OUTLIER 55.3 167.41 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 125.676 1.59 . . . . 0.0 111.85 -176.671 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -84.28 152.41 12.27 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 O-C-N 119.097 -1.054 . . . . 0.0 111.578 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.91 144.24 14.69 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 127.871 2.468 . . . . 0.0 107.327 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -139.18 153.23 71.1 Favored Pre-proline 0 C--O 1.235 0.322 0 C-N-CA 125.766 1.626 . . . . 0.0 108.16 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.93 137.92 50.75 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.162 1.908 . . . . 0.0 109.598 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 52.61 67.48 0.98 Allowed 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 128.587 2.755 . . . . 0.0 113.315 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 83.52 2.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 124.171 1.938 . . . . 0.0 110.445 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.49 7.41 0.58 Allowed 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.484 -163.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.2 m -130.76 161.94 30.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 163.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.17 -44.77 96.63 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 168.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 ptp -62.3 -23.58 66.81 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.532 1.933 . . . . 0.0 113.011 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -77.34 -51.74 10.35 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.424 1.011 . . . . 0.0 109.605 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.41 -35.68 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.99 -62.02 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.505 1.122 . . . . 0.0 113.413 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -30.69 68.86 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.019 0.437 . . . . 0.0 111.352 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -36.33 68.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.078 0.466 . . . . 0.0 110.534 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.6 mt -70.04 -43.21 71.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.186 -0.946 . . . . 0.0 110.105 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.628 HG11 ' HB3' ' A' ' 63' ' ' ALA . 21.3 t -60.98 -43.47 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.34 83.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.731 1.15 . . . . 0.0 111.887 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -72.07 -43.58 64.65 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.061 0.945 . . . . 0.0 113.027 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -126.95 -44.23 1.64 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.149 -0.929 . . . . 0.0 113.327 -169.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 126.45 -117.47 2.82 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.385 1.469 . . . . 0.0 113.811 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -120.38 -20.98 7.04 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.71 -2.053 . . . . 0.0 113.566 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -79.36 -89.6 0.05 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 170.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -65.08 -8.0 14.62 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.06 70.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 116.874 -1.536 . . . . 0.0 111.188 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.584 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 38.3 t-105 -103.23 -45.58 4.86 Favored 'General case' 0 C--O 1.207 -1.179 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -176.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.94 -37.46 69.01 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 119.652 -1.905 . . . . 0.0 113.246 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 tt -76.61 -36.97 57.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 125' ' ' TRP . . . -50.48 -61.9 1.91 Allowed 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 125.255 1.422 . . . . 0.0 109.19 171.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -24.95 45.49 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.018 1.327 . . . . 0.0 111.581 -160.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -50.93 -38.53 50.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.555 0.742 . . . . 0.0 110.41 163.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.7 m -61.26 -20.87 63.35 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.321 -1.487 . . . . 0.0 112.004 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.436 ' CZ3' ' CD2' ' A' ' 82' ' ' PHE . 7.4 m95 -66.77 -33.29 75.29 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.137 -0.977 . . . . 0.0 111.289 174.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -44.44 96.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.979 0.912 . . . . 0.0 108.719 172.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.76 -42.54 60.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 116.347 -1.787 . . . . 0.0 114.174 -177.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.3 mtm -60.48 -61.44 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 121.442 1.928 . . . . 0.0 109.484 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 149.27 5.77 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.127 -0.818 . . . . 0.0 114.082 -174.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.533 HD23 HD12 ' A' ' 140' ' ' LEU 0.611 0.0 OUTLIER -124.69 56.78 1.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.773 2.029 . . . . 0.0 115.498 -170.199 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -11.42 4.67 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.9 t -47.19 -46.51 23.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.398 1.453 . . . . 0.0 109.855 164.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 137' ' ' LEU . 54.8 mt -66.87 -41.19 87.71 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.278 1.031 . . . . 0.0 110.158 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 13.6 t -58.08 -49.51 76.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.228 1.011 . . . . 0.0 110.144 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.63 -55.74 27.39 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.137 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.68 -12.2 32.18 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.951 1.251 . . . . 0.0 113.264 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.32 -2.04 56.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.331 1.423 . . . . 0.0 113.049 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -137.07 11.7 3.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.439 1.496 . . . . 0.0 110.485 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -108.61 53.51 0.68 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 126.737 2.015 . . . . 0.0 108.045 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 61.98 3.84 5.25 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 128.316 2.865 . . . . 0.0 117.146 159.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -91.13 -165.72 1.42 Allowed 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.557 1.543 . . . . 0.0 110.424 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 156.32 -40.83 0.57 Allowed Glycine 0 CA--C 1.527 0.785 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.557 -158.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 40.02 43.61 1.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.344 1.858 . . . . 0.0 113.737 163.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.449 -0.521 0 O-C-N 121.16 -0.963 . . . . 0.0 108.871 178.296 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 26.0 mmm . . . . . 0 N--CA 1.44 -0.946 0 CA-C-O 123.865 1.793 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.52 137.64 50.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.382 -1.736 . . . . 0.0 107.524 167.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 168.08 -41.16 0.23 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 157.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.75 89.44 1.18 Allowed Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 104.8 -3.32 . . . . 0.0 104.8 -159.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 48.09 73.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 126.322 1.849 . . . . 0.0 112.124 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -110.05 173.69 6.21 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.155 -1.384 . . . . 0.0 108.502 -175.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.13 -77.67 2.05 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 158.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -53.88 -31.66 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.375 1.088 . . . . 0.0 111.404 171.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.72 -62.42 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.298 1.039 . . . . 0.0 108.6 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.15 -20.85 65.77 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.147 -1.406 . . . . 0.0 113.748 -170.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.22 -42.74 52.15 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 121.089 1.768 . . . . 0.0 111.513 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -72.26 -32.59 66.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.95 0.9 . . . . 0.0 109.981 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.62 -6.53 54.5 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.539 1.136 . . . . 0.0 111.575 -173.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -90.6 -28.36 18.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 110.424 -173.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.67 55.46 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -174.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.96 165.0 23.05 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.506 1.522 . . . . 0.0 110.333 -177.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -134.06 -170.86 2.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.84 1.256 . . . . 0.0 108.627 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -6.15 10.4 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.908 -1.12 . . . . 0.0 114.02 -165.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.82 -76.33 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.026 0.93 . . . . 0.0 109.307 154.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -102.95 -24.88 13.63 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 121.124 -0.985 . . . . 0.0 110.763 -161.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -38.02 74.4 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 110.054 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -84.71 -37.87 20.41 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 116.371 -1.776 . . . . 0.0 110.534 -175.815 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.76 -57.38 11.74 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -46.47 -57.13 4.98 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.148 0.886 . . . . 0.0 111.641 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -39.92 69.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.551 1.069 . . . . 0.0 112.461 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -54.19 6.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.19 0.996 . . . . 0.0 110.057 -174.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.7 -16.24 37.46 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.944 1.298 . . . . 0.0 111.816 175.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 tt -80.64 -55.59 4.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 119.789 1.177 . . . . 0.0 108.39 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.38 -23.87 64.66 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.809 0.444 . . . . 0.0 111.511 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -52.53 -48.11 66.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.33 1.452 . . . . 0.0 110.489 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.345 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 34.88 -161.73 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.428 1.491 . . . . 0.0 112.224 -149.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -145.17 -65.72 0.33 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.4 m -128.47 114.87 17.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.92 15.35 2.29 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.232 0.613 . . . . 0.0 111.49 -164.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t 68.23 -175.83 0.2 Allowed 'General case' 0 C--O 1.242 0.666 0 C-N-CA 123.523 0.729 . . . . 0.0 109.338 -136.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 m -132.59 86.36 2.31 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 125.459 1.503 . . . . 0.0 107.877 -163.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.2 m -161.62 -174.24 4.14 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 126.217 1.807 . . . . 0.0 108.695 -171.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.74 -106.21 1.33 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 144.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.65 171.63 19.75 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 128.433 2.693 . . . . 0.0 108.304 170.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.46 160.1 20.18 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 123.538 0.735 . . . . 0.0 110.505 163.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -77.87 173.05 14.62 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 124.031 3.154 . . . . 0.0 111.43 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 61.1 171.05 0.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.148 2.179 . . . . 0.0 112.98 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -122.96 140.62 33.77 Favored Pre-proline 0 CA--C 1.54 0.594 0 O-C-N 121.507 -0.746 . . . . 0.0 110.294 -148.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -82.4 166.3 16.03 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 124.011 3.14 . . . . 0.0 113.578 -162.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.9 24.3 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.831 2.453 . . . . 0.0 113.153 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -119.8 97.66 5.73 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 173.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.5 t -135.66 2.25 2.9 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.668 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.7 m -99.99 153.57 19.09 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.471 1.032 . . . . 0.0 110.45 164.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.85 -28.5 70.29 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.449 -0.782 . . . . 0.0 113.014 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -36.19 82.98 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.826 -0.808 . . . . 0.0 110.293 175.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -82.85 -45.91 13.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.058 0.943 . . . . 0.0 110.89 -172.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 24.2 m -60.27 -28.88 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 123.752 0.821 . . . . 0.0 111.385 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.85 -48.59 30.91 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.362 0.665 . . . . 0.0 111.554 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.2 p -62.08 -33.34 74.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.665 0.666 . . . . 0.0 112.176 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -42.11 70.88 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.324 1.05 . . . . 0.0 109.072 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.0 -52.61 16.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.795 1.638 . . . . 0.0 111.108 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.96 -28.06 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 119.419 1.009 . . . . 0.0 109.865 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.47 64.96 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 120.766 -1.209 . . . . 0.0 112.05 171.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -61.59 -39.77 92.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.868 0.867 . . . . 0.0 110.175 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -127.72 -80.35 0.59 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.61 0.764 . . . . 0.0 110.473 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.12 11.53 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -158.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -55.15 -23.46 21.4 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.61 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.286 1.434 . . . . 0.0 110.0 168.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -27.53 62.33 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 120.668 -1.27 . . . . 0.0 112.831 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.84 13.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.772 0.715 . . . . 0.0 111.783 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -118.19 -51.31 2.43 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 119.395 0.998 . . . . 0.0 111.411 169.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -45.86 -45.0 14.81 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.609 1.564 . . . . 0.0 114.066 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -41.04 16.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.469 1.128 . . . . 0.0 108.38 -172.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.83 -41.42 64.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.121 1.368 . . . . 0.0 112.549 168.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.09 -52.91 63.4 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 125.69 1.596 . . . . 0.0 109.983 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.305 0.642 . . . . 0.0 110.468 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.9 m -65.24 -13.58 58.68 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.072 -1.017 . . . . 0.0 111.756 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -72.1 -28.83 63.54 Favored 'General case' 0 C--O 1.225 -0.198 0 O-C-N 120.7 -1.25 . . . . 0.0 111.754 172.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -58.92 -45.18 90.97 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.292 1.437 . . . . 0.0 110.029 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -49.48 -56.95 7.99 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.717 1.607 . . . . 0.0 110.531 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 36.4 mtp -81.01 -13.79 58.52 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.059 0.544 . . . . 0.0 112.324 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.01 69.1 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.149 -1.362 . . . . 0.0 113.102 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.44 77.33 6.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.155 1.977 . . . . 0.0 109.469 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -55.53 -46.83 77.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.588 1.155 . . . . 0.0 109.628 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.4 m -57.87 -40.61 80.62 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 118.188 -0.91 . . . . 0.0 113.182 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.67 -41.69 68.38 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.384 1.447 . . . . 0.0 109.401 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -44.22 97.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 110.488 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.23 -66.31 0.56 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.4 1.88 . . . . 0.0 110.459 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -49.65 -39.67 37.01 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 126.729 2.012 . . . . 0.0 111.407 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.64 42.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.22 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -128.35 5.0 5.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.382 2.273 . . . . 0.0 112.047 -167.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -116.78 13.37 15.07 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.625 -1.297 . . . . 0.0 113.469 -167.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 65.44 54.9 23.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 120.682 -1.261 . . . . 0.0 110.197 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -35.63 -83.21 0.01 OUTLIER 'General case' 0 C--N 1.34 0.184 0 C-N-CA 128.02 2.528 . . . . 0.0 112.508 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 33.88 69.33 0.18 Allowed Glycine 0 C--N 1.337 0.596 0 C-N-CA 127.681 2.562 . . . . 0.0 113.078 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.93 155.59 26.85 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.822 0.449 . . . . 0.0 110.046 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 C--N 1.333 -0.127 0 C-N-CA 126.665 1.986 . . . . 0.0 110.705 -162.738 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 37.0 mtp . . . . . 0 C--O 1.239 0.541 0 CA-C-O 122.279 1.038 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.65 152.62 21.7 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.273 155.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.461 ' HA3' ' CD2' ' A' ' 64' ' ' TRP . . . -133.8 162.8 24.48 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 126.369 1.938 . . . . 0.0 109.197 167.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 91.61 1.0 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 108.606 -1.797 . . . . 0.0 108.606 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . 62.63 24.02 14.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.632 1.173 . . . . 0.0 112.173 -171.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.461 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 69.9 p-90 -137.11 -177.96 4.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 167.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.2 -94.93 0.15 Allowed Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.186 -2.366 . . . . 0.0 107.186 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -57.01 -25.08 57.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.83 -42.74 47.98 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.077 1.351 . . . . 0.0 110.681 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.18 67.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.473 0.709 . . . . 0.0 112.243 -173.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -66.49 -36.81 83.65 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.15 0.98 . . . . 0.0 111.36 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -66.34 -21.38 66.25 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.926 -1.109 . . . . 0.0 110.696 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.8 mt -107.89 32.28 4.86 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.367 1.867 . . . . 0.0 109.193 -175.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.35 -26.82 1.83 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.229 1.411 . . . . 0.0 110.433 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -67.27 -50.97 58.38 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.424 0.557 . . . . 0.0 109.798 -175.624 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 161.59 30.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.927 0.891 . . . . 0.0 108.645 169.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -123.25 -176.61 3.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.15 -41.71 0.27 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.419 1.887 . . . . 0.0 114.483 -175.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -41.67 -55.82 2.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 128.719 2.807 . . . . 0.0 110.415 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -113.14 -22.45 10.51 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 123.605 0.762 . . . . 0.0 109.661 -172.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.3 tp -54.75 -39.14 68.01 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 121.134 -0.979 . . . . 0.0 111.115 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -39.57 54.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.034 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.805 ' HA ' HD13 ' A' ' 85' ' ' LEU . 34.1 mt-10 -62.07 0.85 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.434 1.094 . . . . 0.0 112.589 164.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -103.77 -74.62 0.64 Allowed 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 121.362 -0.836 . . . . 0.0 110.408 157.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.95 -35.76 47.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.953 1.701 . . . . 0.0 113.178 -169.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.432 ' HG ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -87.32 -48.44 7.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.75 0.704 . . . . 0.0 109.509 -175.195 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.805 HD13 ' HA ' ' A' ' 81' ' ' GLU . 8.9 mp -56.96 -22.5 38.57 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.785 2.034 . . . . 0.0 111.204 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -44.85 83.94 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.95 67.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.346 -0.846 . . . . 0.0 110.97 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -63.69 -44.35 93.93 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -72.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 169.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.31 -150.94 0.08 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.795 1.638 . . . . 0.0 110.88 -167.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -116.09 133.81 55.62 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 165.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 m 56.29 -173.17 0.07 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.789 1.236 . . . . 0.0 113.687 -171.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.81 124.85 40.62 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 169.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 m -144.43 95.91 2.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 165.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.2 m -68.36 117.17 9.8 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 169.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 65.6 m -150.18 -50.87 0.14 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.298 1.439 . . . . 0.0 110.024 170.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.48 33.67 3.83 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.172 0.891 . . . . 0.0 111.305 -163.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -59.77 164.17 3.91 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 169.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 71.0 162.12 0.15 Allowed Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.308 1.843 . . . . 0.0 111.296 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.07 174.69 12.12 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.522 2.814 . . . . 0.0 110.502 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.37 160.44 13.38 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.978 0.894 . . . . 0.0 110.802 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.9 pm0 -67.23 150.9 97.65 Favored Pre-proline 0 N--CA 1.442 -0.847 0 C-N-CA 125.937 1.695 . . . . 0.0 110.474 -172.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -71.53 145.57 47.59 Favored 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 122.236 1.957 . . . . 0.0 112.184 176.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -78.51 63.86 3.44 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 127.27 2.228 . . . . 0.0 110.176 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -126.43 157.01 39.69 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.724 0.773 . . . . 0.0 110.935 176.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -139.66 0.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.811 2.044 . . . . 0.0 111.999 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -111.85 133.92 53.75 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.421 0.629 . . . . 0.0 109.433 -174.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.81 85.46 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 123.897 0.761 . . . . 0.0 112.78 -167.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -43.16 74.86 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 117.864 0.832 . . . . 0.0 111.4 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.7 -27.23 27.17 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 121.407 -0.808 . . . . 0.0 112.3 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.03 -41.29 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 165.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.32 90.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.137 0.881 . . . . 0.0 112.111 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 p -58.59 -35.77 72.95 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.96 0.8 . . . . 0.0 112.048 174.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -42.36 82.29 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 115' ' ' LEU . 9.4 tp -69.79 -43.11 72.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 120.894 -1.129 . . . . 0.0 111.982 -171.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 63' ' ' ALA . 39.1 t -67.7 -27.13 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 118.2 0.455 . . . . 0.0 110.149 174.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.0 -35.02 66.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.282 0.947 . . . . 0.0 111.539 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -69.73 -59.7 2.78 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.234 1.014 . . . . 0.0 109.454 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 97.1 m-85 -108.57 -26.52 10.36 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -162.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.36 166.17 25.88 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -156.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -49.45 -53.14 24.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.697 1.199 . . . . 0.0 112.369 -167.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -50.4 -77.53 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.971 1.308 . . . . 0.0 111.133 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.412 ' HB3' ' CD1' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -69.42 -12.18 61.44 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 116.982 -1.485 . . . . 0.0 112.013 -176.305 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.84 -65.12 0.73 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.744 1.611 . . . . 0.0 107.322 167.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -76.13 -44.44 38.38 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.582 -0.699 . . . . 0.0 112.138 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -29.19 69.28 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.16 -1.587 . . . . 0.0 113.394 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 tt -81.98 -42.84 18.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.453 1.501 . . . . 0.0 109.36 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.13 69.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.911 1.284 . . . . 0.0 110.505 172.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.4 -56.19 10.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 120.236 1.38 . . . . 0.0 111.658 174.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.12 -42.95 70.03 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.462 0.705 . . . . 0.0 110.13 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.8 m -57.71 -31.16 66.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.413 0.685 . . . . 0.0 110.868 -172.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -74.68 -28.59 60.89 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.369 -0.832 . . . . 0.0 113.191 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -64.91 -40.97 95.9 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.04 0.836 . . . . 0.0 109.161 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -55.8 -44.92 78.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.082 1.753 . . . . 0.0 110.711 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.0 mtp -74.98 -15.45 60.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.84 6.47 69.79 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.887 1.232 . . . . 0.0 114.209 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.507 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.2 mm? -79.48 124.99 28.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 120.216 2.008 . . . . 0.0 108.318 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -107.05 -24.69 11.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 42.8 t -57.67 -35.19 70.23 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.216 0.916 . . . . 0.0 110.252 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 137' ' ' LEU . 3.8 mm? -73.41 -61.3 1.88 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.282 1.033 . . . . 0.0 110.677 -165.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.38 -37.57 72.86 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.041 0.837 . . . . 0.0 111.482 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.86 -72.78 0.07 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.87 -11.3 58.36 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.413 -1.429 . . . . 0.0 113.258 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.82 -45.57 50.49 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 120.914 -1.116 . . . . 0.0 111.793 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -154.75 29.39 0.42 Allowed 'General case' 0 C--N 1.344 0.347 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -162.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.62 -4.12 58.83 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.93 15.04 29.73 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.027 0.823 . . . . 0.0 111.514 -162.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.38 103.94 14.74 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.578 1.551 . . . . 0.0 108.003 166.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 117.24 68.47 0.38 Allowed Glycine 0 CA--C 1.521 0.437 0 C-N-CA 124.491 1.043 . . . . 0.0 112.588 171.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.58 -177.34 0.2 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.465 1.106 . . . . 0.0 110.229 178.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 169.027 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 CA--C 1.535 0.398 0 CA-C-O 120.588 0.232 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.46 136.06 57.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.579 0.751 . . . . 0.0 109.323 165.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.437 ' HA3' ' CD2' ' A' ' 64' ' ' TRP . . . -73.35 136.29 22.12 Favored Glycine 0 N--CA 1.437 -1.262 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 176.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.19 -18.49 49.15 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-N 116.673 0.237 . . . . 0.0 112.846 172.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.35 10.36 0.07 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 122.224 -0.574 . . . . 0.0 112.228 -161.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.437 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 12.9 p-90 -141.61 171.28 14.27 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.746 1.619 . . . . 0.0 107.088 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.02 -79.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -174.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -54.85 -51.26 66.46 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.023 0.911 . . . . 0.0 111.956 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.8 pp -50.58 -33.14 20.85 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.882 1.673 . . . . 0.0 113.054 175.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . . . -69.78 -22.06 63.37 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.369 0.986 . . . . 0.0 111.766 -172.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -64.69 -49.84 69.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.411 1.005 . . . . 0.0 110.027 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -54.67 -33.78 61.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.005 0.522 . . . . 0.0 109.788 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 68' ' ' ALA . 9.3 mp -83.4 0.45 46.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.72 1.608 . . . . 0.0 113.872 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 -5.67 11.07 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 120.57 1.532 . . . . 0.0 112.153 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.754 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -58.18 -56.16 25.7 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 166.026 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.11 161.86 27.09 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 110.045 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -125.0 177.22 6.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.87 1.668 . . . . 0.0 108.069 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.07 -10.84 15.96 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -164.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -44.58 -63.7 0.84 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.048 1.294 . . . . 0.0 110.122 157.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.69 -31.26 8.98 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -167.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.08 -39.62 66.47 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.139 -0.976 . . . . 0.0 110.233 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.509 ' HE3' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -61.74 -57.12 13.14 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.657 1.183 . . . . 0.0 111.351 172.318 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -53.38 -42.93 67.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.861 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -55.57 -51.44 67.09 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 119.386 0.994 . . . . 0.0 112.193 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.2 -46.4 88.52 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.099 0.863 . . . . 0.0 110.168 176.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.509 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 5.9 tt -64.0 -54.59 31.92 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 125.65 1.58 . . . . 0.0 110.513 -170.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.57 -48.06 82.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.301 2.24 . . . . 0.0 109.56 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.61 -48.7 80.63 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 125.086 1.354 . . . . 0.0 109.53 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.2 -13.5 60.38 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.051 0.941 . . . . 0.0 113.171 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.45 -45.74 11.56 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 119.365 0.984 . . . . 0.0 109.962 167.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -60.09 3.79 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.083 1.753 . . . . 0.0 110.616 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.55 111.01 2.51 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.56 166.05 1.0 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.108 0.963 . . . . 0.0 112.684 169.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 m 56.19 144.48 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.91 2.084 . . . . 0.0 112.764 -170.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -162.18 81.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 120.126 -1.609 . . . . 0.0 108.195 -164.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.26 171.94 0.18 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.58 1.552 . . . . 0.0 111.575 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 75.2 m -84.27 -169.46 2.61 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.481 -0.762 . . . . 0.0 109.845 165.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.41 159.33 4.88 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.659 1.183 . . . . 0.0 111.075 171.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -172.23 86.09 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 106.363 -2.695 . . . . 0.0 106.363 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.6 143.97 55.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 172.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m 59.8 146.04 0.06 OUTLIER Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 128.343 2.657 . . . . 0.0 111.24 -168.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -85.88 155.91 10.09 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.038 2.492 . . . . 0.0 112.294 -170.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.76 102.45 2.85 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 126.249 1.819 . . . . 0.0 106.969 170.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -86.07 147.52 45.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.861 1.209 . . . . 0.0 109.257 172.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -93.32 151.36 2.48 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.312 3.341 . . . . 0.0 112.487 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -109.16 22.07 16.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.031 1.332 . . . . 0.0 113.601 -166.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HE3' ' CD1' ' A' ' 114' ' ' TYR . 0.5 OUTLIER -84.56 78.72 9.79 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 122.245 1.022 . . . . 0.0 109.479 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 t -82.61 5.47 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 125.793 1.637 . . . . 0.0 112.287 -174.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.5 m -123.76 141.24 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 121.426 -0.797 . . . . 0.0 110.567 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.8 91.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 123.759 0.695 . . . . 0.0 113.575 -167.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -14.91 35.87 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.283 1.033 . . . . 0.0 112.769 171.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -108.2 -12.31 15.11 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.831 1.252 . . . . 0.0 111.912 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.63 -24.09 18.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 120.663 -1.273 . . . . 0.0 108.465 155.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.31 -53.04 21.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.166 -0.959 . . . . 0.0 111.97 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.92 -41.52 46.27 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.576 1.55 . . . . 0.0 111.066 170.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.484 ' CD1' ' HE3' ' A' ' 105' ' ' LYS . 1.5 t80 -68.49 -45.21 72.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.974 0.909 . . . . 0.0 110.775 -176.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.29 -39.15 93.34 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.598 -0.689 . . . . 0.0 110.702 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.44 -42.85 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.84 -49.4 72.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.043 0.838 . . . . 0.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -72.87 -32.33 65.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.766 -169.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -129.06 -45.02 1.27 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.552 0.615 . . . . 0.0 112.178 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.25 160.02 13.93 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -172.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -68.79 -13.71 62.57 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -165.066 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.52 -81.57 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.392 1.477 . . . . 0.0 110.462 159.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -62.48 -26.83 68.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.712 1.142 . . . . 0.0 111.977 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 121' ' ' GLU . . . -59.9 -13.14 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 118.182 -0.913 . . . . 0.0 112.232 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.472 ' CZ3' ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -119.11 -53.58 2.25 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.45 0.7 . . . . 0.0 110.338 160.286 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -50.72 -35.29 30.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.371 1.869 . . . . 0.0 114.823 -175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -51.37 7.05 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.66 47.01 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.233 1.013 . . . . 0.0 113.081 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -52.91 -49.84 65.14 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.106 1.363 . . . . 0.0 110.468 176.387 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -32.05 63.53 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.841 0.746 . . . . 0.0 111.441 -176.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 m -60.95 -9.2 3.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.526 1.057 . . . . 0.0 111.719 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.408 ' CG ' ' HB2' ' A' ' 141' ' ' CYS . 5.2 p-90 -55.64 -42.61 75.26 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.047 -1.033 . . . . 0.0 110.439 165.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.44 -32.67 74.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.349 1.06 . . . . 0.0 109.756 -171.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.24 -62.97 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.852 1.261 . . . . 0.0 109.304 171.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.7 mtm -75.46 -12.53 60.26 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -171.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.78 1.59 82.56 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.102 1.81 . . . . 0.0 114.928 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.15 86.29 4.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.465 2.133 . . . . 0.0 110.78 -168.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -53.75 48.31 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.06 0.944 . . . . 0.0 111.134 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -25.43 68.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.258 0.623 . . . . 0.0 111.926 -168.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.754 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.0 mm? -69.39 -59.92 2.68 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.408 ' HB2' ' CG ' ' A' ' 132' ' ' TRP . 35.2 t -57.41 -39.35 75.98 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.436 0.695 . . . . 0.0 111.094 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.1 -65.29 0.72 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.705 0.802 . . . . 0.0 110.137 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.79 -18.74 65.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.0 0.92 . . . . 0.0 112.341 -173.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.38 -14.2 62.78 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.888 . . . . 0.0 112.659 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -134.88 -9.66 2.35 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.566 1.146 . . . . 0.0 112.551 -168.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.87 3.89 0.49 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.898 2.479 . . . . 0.0 113.36 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.68 14.46 31.99 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.608 1.575 . . . . 0.0 112.945 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.32 103.74 2.49 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.965 1.306 . . . . 0.0 108.314 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -179.54 169.54 40.62 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 126.402 1.953 . . . . 0.0 110.061 170.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -164.11 168.19 19.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 127.259 2.224 . . . . 0.0 108.591 171.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 C-N-CA 124.761 1.224 . . . . 0.0 108.759 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.353 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 59' ' ' MET . . . 86.11 93.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.096 1.759 . . . . 0.0 108.937 163.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.44 ' HA2' ' CD1' ' A' ' 64' ' ' TRP . . . -135.2 1.99 3.83 Favored Glycine 0 CA--C 1.535 1.281 0 N-CA-C 115.83 1.092 . . . . 0.0 115.83 -151.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.27 -55.32 4.38 Favored Glycine 0 C--N 1.337 0.633 0 CA-C-N 119.163 1.482 . . . . 0.0 111.327 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.642 ' HB3' HG22 ' A' ' 116' ' ' VAL . . . -78.98 74.82 5.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.702 1.601 . . . . 0.0 106.962 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.44 ' CD1' ' HA2' ' A' ' 61' ' ' GLY . 1.4 m95 -149.54 168.64 22.96 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -169.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.97 -91.08 0.59 Allowed Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 107.023 -2.431 . . . . 0.0 107.023 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -27.43 7.27 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.368 1.067 . . . . 0.0 113.347 172.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.9 1.2 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.79 -24.99 67.73 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.081 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -10.3 3.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.837 1.655 . . . . 0.0 114.641 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -114.36 -41.07 3.52 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.841 2.057 . . . . 0.0 108.279 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -68.98 4.28 1.61 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.808 2.443 . . . . 0.0 112.498 177.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -16.79 14.43 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.989 1.716 . . . . 0.0 111.765 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.658 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -64.36 -47.5 79.07 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 120.076 1.307 . . . . 0.0 108.236 174.046 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -99.25 160.44 14.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.806 1.242 . . . . 0.0 112.026 -176.81 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -135.5 -161.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.796 1.639 . . . . 0.0 107.507 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -54.58 -16.39 2.38 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -169.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -51.97 -58.36 6.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.415 1.007 . . . . 0.0 109.957 169.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' HB2' HD12 ' A' ' 74' ' ' LEU . 31.5 mt-10 -125.65 -21.08 4.53 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.108 0.867 . . . . 0.0 111.034 -169.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.95 -34.4 77.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 119.794 -1.816 . . . . 0.0 110.901 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -44.86 87.73 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.425 170.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.19 -34.74 78.77 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.869 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -50.63 -60.89 2.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.691 2.042 . . . . 0.0 110.045 171.375 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -66.21 -25.69 67.04 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.99 -63.96 1.24 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.59 1.556 . . . . 0.0 109.112 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.61 -43.9 69.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 127.306 2.242 . . . . 0.0 110.602 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.53 -48.74 79.67 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.73 70.01 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.921 0.782 . . . . 0.0 111.185 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.68 -34.55 67.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.627 0.771 . . . . 0.0 111.94 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' HE3' ' NE2' ' A' ' 130' ' ' HIS . 1.6 mptt -68.0 -75.72 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.888 1.275 . . . . 0.0 108.306 164.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 48.52 -165.07 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.555 1.542 . . . . 0.0 110.664 -172.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.31 19.99 0.95 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.404 -1.435 . . . . 0.0 112.795 170.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 t -97.78 -178.54 4.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.732 1.213 . . . . 0.0 110.08 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -160.26 165.2 31.86 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.794 1.238 . . . . 0.0 109.682 168.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.8 m 58.74 -176.37 0.08 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.283 1.433 . . . . 0.0 113.762 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m 74.23 -177.99 0.17 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.187 2.595 . . . . 0.0 108.692 -153.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.5 p -134.42 158.89 42.72 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.227 -0.921 . . . . 0.0 108.629 168.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -150.21 72.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 N-CA-C 107.257 -2.337 . . . . 0.0 107.257 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.71 121.19 12.78 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 175.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.8 m 59.05 141.95 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 131.403 3.881 . . . . 0.0 112.2 -166.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -78.44 154.28 27.72 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.344 2.696 . . . . 0.0 110.828 -175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.65 70.18 1.28 Allowed 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.723 1.209 . . . . 0.0 109.394 -169.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -65.18 151.26 94.2 Favored Pre-proline 0 C--O 1.24 0.566 0 C-N-CA 123.388 0.675 . . . . 0.0 110.103 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.81 -175.53 2.48 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.75 2.967 . . . . 0.0 110.649 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -94.9 14.64 20.93 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.43 1.092 . . . . 0.0 113.681 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -96.46 113.82 25.43 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -171.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.1 t -152.62 15.68 0.59 Allowed 'General case' 0 C--O 1.239 0.536 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -161.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -119.93 160.07 23.44 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.572 0.623 . . . . 0.0 112.447 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -30.26 -61.86 0.19 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 128.05 2.738 . . . . 0.0 112.975 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -14.11 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.477 1.511 . . . . 0.0 113.45 -173.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.06 -47.89 7.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.245 0.618 . . . . 0.0 110.511 -172.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.2 t -53.37 -39.35 35.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.65 -62.01 1.94 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.146 0.979 . . . . 0.0 112.229 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -63.03 -24.25 67.83 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.29 0.496 . . . . 0.0 111.945 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.49 -48.18 65.12 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 172.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 115' ' ' LEU . 6.9 tp -65.13 -43.75 90.91 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.226 1.01 . . . . 0.0 112.46 -173.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.642 HG22 ' HB3' ' A' ' 63' ' ' ALA . 2.8 t -64.58 -29.37 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 118.886 0.766 . . . . 0.0 110.076 176.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.7 59.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.722 1.147 . . . . 0.0 111.932 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -65.86 -50.92 62.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.628 0.649 . . . . 0.0 110.238 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -117.25 -22.69 8.18 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -163.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.2 174.3 45.43 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -152.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.46 -34.91 69.49 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 123.924 0.89 . . . . 0.0 112.684 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -60.29 -84.39 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.499 1.52 . . . . 0.0 109.218 -175.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -65.01 -21.83 66.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.251 0.932 . . . . 0.0 111.684 -172.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.79 -18.83 57.49 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.82 1.191 . . . . 0.0 112.317 174.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.463 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.9 OUTLIER -119.9 -49.91 2.3 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 119.501 1.046 . . . . 0.0 109.592 174.305 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -59.53 -22.66 61.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.738 1.215 . . . . 0.0 113.766 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -94.75 -41.26 9.34 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.926 1.239 . . . . 0.0 109.481 171.254 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.92 -45.4 10.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.463 0.705 . . . . 0.0 112.638 170.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 125' ' ' TRP . 8.9 mt -73.27 -33.35 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.767 1.627 . . . . 0.0 110.795 -175.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.43 ' NE2' ' HE3' ' A' ' 89' ' ' LYS . 2.3 t-160 -59.62 -49.31 78.25 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 164.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -26.33 54.57 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.195 -1.565 . . . . 0.0 112.678 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.405 ' CH2' ' CD2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -76.06 -24.18 55.11 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.917 1.287 . . . . 0.0 111.681 178.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.88 67.67 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.222 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -73.43 -65.32 0.83 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.64 169.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 6.3 mtm -56.88 -24.88 54.99 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 119.664 1.12 . . . . 0.0 113.313 -165.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.21 67.99 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 119.176 0.898 . . . . 0.0 112.781 172.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -79.11 72.08 5.63 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -61.65 -37.62 84.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.578 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -47.98 53.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.295 1.438 . . . . 0.0 110.508 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.658 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.1 mm? -65.17 -52.48 54.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 124.166 0.986 . . . . 0.0 110.143 -178.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.01 -43.17 99.48 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.519 0.328 . . . . 0.0 111.102 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.52 -61.88 2.11 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.643 1.577 . . . . 0.0 108.119 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -50.09 -32.11 14.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.479 1.112 . . . . 0.0 113.119 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -80.81 -8.08 59.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.666 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.11 20.94 1.1 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 121.271 1.85 . . . . 0.0 112.855 -168.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -112.61 -2.5 14.55 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -168.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.52 27.19 6.9 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.041 0.353 . . . . 0.0 112.49 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.52 70.73 0.07 Allowed 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.016 -1.284 . . . . 0.0 109.764 155.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -172.32 -169.67 35.28 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.925 1.726 . . . . 0.0 110.121 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -90.28 -172.18 3.37 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.599 0.714 . . . . 0.0 109.647 173.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 C--O 1.238 0.476 0 C-N-CA 126.197 1.799 . . . . 0.0 106.504 156.154 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.6 ppp? . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.379 0.609 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 62' ' ' GLY . . . -144.03 15.47 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.095 1.358 . . . . 0.0 113.158 -169.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.38 -39.27 1.45 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.731 1.634 . . . . 0.0 111.687 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 60' ' ' ALA . . . 139.9 -24.09 2.74 Favored Glycine 0 N--CA 1.44 -1.067 0 C-N-CA 128.344 2.878 . . . . 0.0 109.901 -164.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 163.87 19.73 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.862 2.065 . . . . 0.0 112.055 -164.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -156.07 -73.15 0.11 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 120.62 -1.3 . . . . 0.0 108.424 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.73 -100.05 0.03 OUTLIER Glycine 0 C--N 1.336 0.567 0 C-N-CA 126.435 1.969 . . . . 0.0 110.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.84 -41.39 1.13 Allowed 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.592 1.957 . . . . 0.0 112.922 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.7 mt -50.62 -41.89 55.46 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 118.705 0.684 . . . . 0.0 110.798 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.24 65.2 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.782 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.27 -50.07 61.88 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.062 1.301 . . . . 0.0 109.554 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -55.84 -43.46 77.03 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.9 9.52 5.24 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.118 0.967 . . . . 0.0 113.069 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 -5.33 7.72 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.756 1.617 . . . . 0.0 113.272 175.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.635 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -57.17 -40.78 77.96 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 170.226 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.02 166.0 12.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.94 2.096 . . . . 0.0 110.51 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -127.52 -171.67 2.49 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.765 1.626 . . . . 0.0 108.635 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -47.48 -23.4 0.62 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.809 2.044 . . . . 0.0 113.047 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 77' ' ' GLU . 32.3 mt-10 -38.05 -64.03 0.44 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 128.998 2.919 . . . . 0.0 110.341 164.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -124.41 -22.26 4.72 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.441 1.496 . . . . 0.0 110.854 -170.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.6 tp -57.57 -43.46 84.57 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.866 1.266 . . . . 0.0 110.699 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -63.61 -54.44 35.81 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.025 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -42.18 83.21 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.641 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.435 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 27.0 t80 -49.65 -61.89 1.86 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 120.325 1.42 . . . . 0.0 110.604 173.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -66.53 -28.16 68.32 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.905 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.23 -58.8 3.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.496 2.318 . . . . 0.0 110.206 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.0 -41.79 88.52 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.515 1.526 . . . . 0.0 110.067 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tt -59.94 -57.11 14.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.607 1.163 . . . . 0.0 108.514 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.74 -35.68 71.03 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 111.697 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -61.74 -57.32 12.36 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.586 0.755 . . . . 0.0 109.835 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -58.68 6.98 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.88 -173.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 49.06 -11.21 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 131.549 3.939 . . . . 0.0 119.601 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.98 155.01 0.13 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.557 2.343 . . . . 0.0 109.475 -139.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.6 t -170.49 146.01 2.7 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 163.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 ttt-85 -91.58 132.37 36.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 173.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.9 m 56.37 -172.14 0.07 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.597 0.759 . . . . 0.0 112.04 -173.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.1 p -107.33 110.72 22.8 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.854 1.662 . . . . 0.0 108.84 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.7 m -146.74 118.93 8.28 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.128 0.876 . . . . 0.0 108.964 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.68 -30.12 72.8 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 163.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.74 -166.78 0.07 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.872 2.069 . . . . 0.0 111.002 176.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.5 p -62.17 134.32 94.53 Favored Pre-proline 0 N--CA 1.444 -0.739 0 O-C-N 120.902 -1.124 . . . . 0.0 108.277 171.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.45 154.41 50.5 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.052 1.168 . . . . 0.0 109.512 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -152.13 143.75 23.52 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -127.97 154.09 78.35 Favored Pre-proline 0 C--O 1.238 0.459 0 C-N-CA 124.265 1.026 . . . . 0.0 109.673 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -86.27 124.69 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.255 1.97 . . . . 0.0 114.058 -172.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.73 17.43 2.29 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 128.275 2.63 . . . . 0.0 115.371 -169.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.48 164.11 30.24 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.704 1.202 . . . . 0.0 110.456 -177.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 t -145.0 6.25 1.16 Allowed 'General case' 0 C--O 1.238 0.494 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -164.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.27 156.98 31.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.262 1.025 . . . . 0.0 109.606 173.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.01 69.0 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 124.296 0.95 . . . . 0.0 112.25 -175.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.11 -21.28 66.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.35 1.075 . . . . 0.0 111.881 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.89 -58.43 3.31 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 119.427 1.012 . . . . 0.0 109.425 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.407 ' HA ' ' HB3' ' A' ' 114' ' ' TYR . 4.7 m -58.15 -26.69 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.139 0.976 . . . . 0.0 111.96 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.32 -58.92 3.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.456 1.102 . . . . 0.0 113.037 171.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -27.44 68.26 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.345 -0.847 . . . . 0.0 111.915 176.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.407 ' HB3' ' HA ' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.4 -49.12 67.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.92 0.782 . . . . 0.0 108.978 -179.146 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.372 1.069 . . . . 0.0 109.667 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.88 -41.79 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 O-C-N 121.878 -0.514 . . . . 0.0 109.674 173.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -30.69 71.13 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.781 0.832 . . . . 0.0 112.144 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.53 -68.73 0.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.44 -7.51 12.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -149.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.94 177.38 35.98 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -152.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -54.75 -26.94 37.46 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.482 0.713 . . . . 0.0 112.897 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -55.4 -80.46 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.306 1.042 . . . . 0.0 111.546 -170.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.457 ' HA ' ' HB3' ' A' ' 126' ' ' ASP . 0.8 OUTLIER -68.43 -20.81 64.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.186 -179.108 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.35 -14.31 17.86 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.83 -46.63 2.34 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.27 0.941 . . . . 0.0 112.215 164.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' A' ' 123' ' ' ARG . 16.9 t70 -50.4 -43.03 54.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.742 1.617 . . . . 0.0 114.055 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -40.94 21.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.072 0.939 . . . . 0.0 108.726 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -51.37 -36.14 41.9 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.01 0.924 . . . . 0.0 112.662 168.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.69 -39.77 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 120.348 1.431 . . . . 0.0 111.448 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -43.47 98.75 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.5 m -61.55 -37.02 82.26 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.848 0.859 . . . . 0.0 109.34 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -63.6 -36.85 85.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.725 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -75.2 -38.5 60.71 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.776 0.716 . . . . 0.0 109.981 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.31 -46.27 69.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.662 1.185 . . . . 0.0 111.379 173.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 66.4 mtp -77.04 -16.34 59.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.61 25.18 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 118.941 0.792 . . . . 0.0 112.491 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.6 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.7 mm? -106.51 81.93 1.66 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.855 1.327 . . . . 0.0 110.186 173.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -61.77 -44.05 97.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 O-C-N 121.324 -0.86 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.4 p -63.2 0.78 0.57 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.647 1.579 . . . . 0.0 114.286 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.635 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.6 mm? -105.71 -53.25 2.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.173 1.389 . . . . 0.0 107.819 171.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.07 -47.29 68.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.44 1.096 . . . . 0.0 113.393 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.83 -67.02 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -55.81 -19.48 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.026 1.331 . . . . 0.0 114.163 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.43 63.11 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 116.438 -1.744 . . . . 0.0 112.026 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . 0.27 11.6 mp0 -125.51 10.59 7.9 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 120.4 1.455 . . . . 0.0 111.695 175.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -115.3 15.01 16.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.197 1.399 . . . . 0.0 110.598 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.36 48.66 29.55 Favored Glycine 0 CA--C 1.526 0.765 0 O-C-N 121.324 -0.86 . . . . 0.0 113.365 166.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.82 -165.67 0.86 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 118.002 0.901 . . . . 0.0 108.642 159.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 154.93 -157.08 27.35 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.193 1.854 . . . . 0.0 110.003 -168.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -129.69 -86.31 0.53 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.974 0.887 . . . . 0.0 109.379 169.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.453 -0.295 0 CA-C-N 118.895 0.77 . . . . 0.0 109.997 -173.021 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.848 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.94 -166.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.92 0.888 . . . . 0.0 108.714 158.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.78 57.91 0.34 Allowed Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 105.716 -2.954 . . . . 0.0 105.716 175.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.45 -33.9 78.54 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.97 90.36 3.31 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 125.59 1.556 . . . . 0.0 108.573 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -146.74 172.97 12.81 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -174.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 -91.68 1.66 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 164.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.31 -44.78 62.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.314 1.446 . . . . 0.0 110.617 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 tp -47.37 -52.7 15.85 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.133 1.373 . . . . 0.0 111.523 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.91 -14.86 58.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.076 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.8 m -63.02 -40.87 99.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 121.681 2.037 . . . . 0.0 110.027 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -61.87 -24.23 66.79 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 123.128 0.571 . . . . 0.0 111.885 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 -8.48 31.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.252 1.021 . . . . 0.0 110.551 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.94 -32.35 57.27 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.484 0.713 . . . . 0.0 110.095 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -81.44 -9.94 59.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.447 0.699 . . . . 0.0 112.708 -171.185 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -69.04 171.95 7.43 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.264 1.825 . . . . 0.0 111.769 -173.182 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -134.94 169.83 16.81 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.471 1.108 . . . . 0.0 110.366 152.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -39.73 -47.76 2.09 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.579 1.952 . . . . 0.0 112.493 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.26 -16.48 45.82 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 112.237 -168.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -131.54 -24.01 2.28 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.658 0.783 . . . . 0.0 110.406 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 33.9 tp -67.76 -40.8 84.01 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.289 1.436 . . . . 0.0 111.813 173.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -53.82 10.23 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -38.62 70.43 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.58 -1.2 . . . . 0.0 111.463 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 52.7 t80 -52.78 -61.15 2.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 120.366 1.439 . . . . 0.0 110.084 172.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -24.55 65.32 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.253 -174.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.65 -71.33 0.21 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.224 2.21 . . . . 0.0 109.421 172.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -49.68 -43.73 47.49 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.782 2.033 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -45.14 -67.32 0.29 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 126.559 1.944 . . . . 0.0 111.398 167.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.54 25.37 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -93.52 -38.86 11.18 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.893 1.277 . . . . 0.0 109.283 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.92 -61.9 1.88 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.171 1.388 . . . . 0.0 107.75 163.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.75 160.1 29.59 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.278 0.631 . . . . 0.0 112.25 -166.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 95.79 -172.1 0.0 OUTLIER 'General case' 0 C--O 1.236 0.391 0 C-N-CA 131.073 3.749 . . . . 0.0 108.727 -161.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.63 110.53 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 128.773 2.829 . . . . 0.0 104.998 175.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -153.36 -74.34 0.13 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 t -175.0 -45.67 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.515 2.326 . . . . 0.0 106.897 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t 75.62 118.09 0.05 Allowed 'General case' 0 C--N 1.346 0.422 0 C-N-CA 126.573 1.949 . . . . 0.0 110.128 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 m -66.29 -34.78 78.77 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 121.329 -0.857 . . . . 0.0 109.843 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 79.46 58.63 2.86 Favored Glycine 0 C--N 1.334 0.446 0 N-CA-C 108.112 -1.995 . . . . 0.0 108.112 -174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.2 163.9 11.89 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 163.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 p -59.1 155.17 35.53 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 122.748 0.419 . . . . 0.0 111.463 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.44 153.92 45.07 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 121.111 1.207 . . . . 0.0 109.605 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.11 179.62 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 125.766 1.626 . . . . 0.0 108.456 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -124.0 138.57 30.85 Favored Pre-proline 0 N--CA 1.449 -0.484 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -76.85 142.35 22.37 Favored 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 123.861 3.041 . . . . 0.0 110.433 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.83 45.88 1.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 124.243 1.017 . . . . 0.0 112.112 -175.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 98.37 3.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 120.883 -1.136 . . . . 0.0 109.738 169.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.6 p -104.17 27.8 7.39 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.161 0.984 . . . . 0.0 111.232 171.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 p -118.31 141.24 48.72 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 120.631 -1.293 . . . . 0.0 108.763 165.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.57 -37.63 89.39 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.941 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.2 ptm -74.26 -26.78 60.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.998 -0.707 . . . . 0.0 112.158 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -81.47 -37.19 28.35 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.298 0.954 . . . . 0.0 111.022 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -55.27 -40.94 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 119.289 0.95 . . . . 0.0 108.821 168.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.57 -64.67 0.84 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.737 0.815 . . . . 0.0 112.246 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 p -58.25 -30.32 66.46 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.345 0.52 . . . . 0.0 111.948 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -65.64 -55.15 19.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.84 -41.11 95.98 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.621 -0.674 . . . . 0.0 110.979 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.66 -26.63 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.933 1.293 . . . . 0.0 111.183 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.27 -4.49 25.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.599 1.159 . . . . 0.0 113.583 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -94.56 -38.77 10.72 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 125.051 1.341 . . . . 0.0 110.681 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -111.17 -56.13 2.41 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.771 1.228 . . . . 0.0 110.708 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 118.49 159.09 11.04 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -166.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.19 -32.57 64.49 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 124.678 1.191 . . . . 0.0 113.834 -162.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -60.13 -74.76 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 119.082 0.855 . . . . 0.0 110.439 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -63.44 -30.2 71.36 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.785 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -6.29 8.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.595 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.461 ' HE1' ' HB1' ' A' ' 144' ' ' ALA . 1.7 t-105 -120.71 -46.35 2.36 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.794 1.179 . . . . 0.0 112.122 156.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.85 -33.52 56.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.313 1.845 . . . . 0.0 114.996 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.99 -48.68 15.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.8 1.64 . . . . 0.0 107.755 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.569 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -54.46 -35.48 63.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.775 2.43 . . . . 0.0 112.887 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.39 -50.75 68.91 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 124.574 1.15 . . . . 0.0 110.396 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -37.04 83.19 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.945 0.498 . . . . 0.0 110.225 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 77.0 m -64.29 -29.91 70.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.887 0.875 . . . . 0.0 110.126 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.443 ' CH2' HD13 ' A' ' 140' ' ' LEU . 5.8 m95 -61.71 -47.38 85.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.52 -0.738 . . . . 0.0 110.17 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -63.57 -32.25 73.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.114 0.966 . . . . 0.0 111.226 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -60.28 -42.11 94.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.215 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -81.81 -15.37 54.39 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.018 0.826 . . . . 0.0 111.738 171.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.93 60.92 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.67 1.605 . . . . 0.0 114.301 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.82 78.13 5.28 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 120.332 2.066 . . . . 0.0 110.45 -169.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -55.01 -49.29 71.88 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 125.127 1.371 . . . . 0.0 109.988 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.2 m -62.23 -37.72 86.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.585 0.754 . . . . 0.0 111.347 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.62 HD11 ' CE1' ' A' ' 73' ' ' PHE . 90.2 mt -68.11 -49.53 60.53 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.0 t -53.71 -39.27 65.07 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.923 0.889 . . . . 0.0 110.343 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.9 -56.39 9.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.029 2.132 . . . . 0.0 110.935 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.59 -24.97 64.21 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.35 -0.844 . . . . 0.0 110.816 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.461 ' HB1' ' HE1' ' A' ' 125' ' ' TRP . . . -81.61 0.71 37.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.42 1.488 . . . . 0.0 113.762 174.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -135.57 -4.43 2.3 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 120.184 1.356 . . . . 0.0 112.703 -176.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -64.34 0.4 1.02 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.432 1.493 . . . . 0.0 114.115 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 149.69 -19.93 1.14 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.91 2.195 . . . . 0.0 110.284 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.86 106.76 0.28 Allowed 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 154.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -155.21 -146.85 4.54 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 127.562 2.506 . . . . 0.0 107.57 171.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -127.57 169.86 13.26 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.9 1.28 . . . . 0.0 110.238 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.236 0.347 0 C-N-CA 123.69 0.796 . . . . 0.0 110.82 -166.542 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.6 ptm . . . . . 0 C--O 1.234 0.239 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.59 97.46 0.05 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 171.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 177.32 17.44 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.051 0 CA-C-O 118.456 -1.191 . . . . 0.0 111.872 -156.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.61 -21.22 6.51 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 117.934 1.934 . . . . 0.0 117.934 -151.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . -156.58 29.22 0.33 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.522 1.129 . . . . 0.0 111.353 172.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -146.14 -36.57 0.26 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.357 -169.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.8 -105.69 0.04 OUTLIER Glycine 0 CA--C 1.526 0.72 0 C-N-CA 127.012 2.244 . . . . 0.0 112.988 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -16.55 40.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 117.661 -1.161 . . . . 0.0 113.534 -172.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mp -41.01 -58.05 1.84 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.555 1.542 . . . . 0.0 109.966 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -17.36 62.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.6 -1.191 . . . . 0.0 112.346 -172.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 16.5 t -67.21 -45.03 78.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 120.245 1.384 . . . . 0.0 108.498 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -62.37 -43.49 98.7 Favored 'General case' 0 CA--C 1.523 -0.084 0 O-C-N 121.205 -0.935 . . . . 0.0 109.407 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 9.53 3.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.583 0.753 . . . . 0.0 111.987 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -107.18 -15.07 14.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.319 2.248 . . . . 0.0 110.109 166.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -60.2 2.56 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.256 1.389 . . . . 0.0 107.986 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -89.94 149.54 22.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.862 1.315 . . . . 0.0 110.148 -173.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -116.76 -171.83 2.09 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.506 1.922 . . . . 0.0 107.599 -175.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -60.55 -14.78 21.92 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 117.093 -1.432 . . . . 0.0 114.54 -160.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -49.37 -71.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.512 1.051 . . . . 0.0 109.769 163.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -106.99 -17.51 14.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -160.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.46 -42.81 99.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.207 1.003 . . . . 0.0 109.004 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -69.28 -48.11 62.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 115.809 -2.043 . . . . 0.0 110.113 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.47 -45.86 69.74 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.786 1.63 . . . . 0.0 110.082 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -54.78 -46.05 74.36 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 119.294 0.952 . . . . 0.0 111.569 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.92 -46.92 82.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.035 0.834 . . . . 0.0 111.143 175.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.06 -64.41 0.89 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.398 2.679 . . . . 0.0 109.157 -170.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.18 -48.53 67.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.989 2.116 . . . . 0.0 110.489 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.76 -56.45 19.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.747 1.219 . . . . 0.0 109.236 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.13 67.61 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.124 -0.985 . . . . 0.0 111.27 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.73 -29.28 40.57 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.376 1.07 . . . . 0.0 111.486 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.2 93.67 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 109.493 163.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.14 59.16 3.22 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.048 1.339 . . . . 0.0 110.935 -176.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.52 124.08 3.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.583 1.953 . . . . 0.0 111.725 164.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 p -153.25 179.88 8.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.902 0.881 . . . . 0.0 108.829 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 50.29 -159.7 0.08 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.309 1.043 . . . . 0.0 108.946 -150.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.5 m -147.2 166.12 27.95 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 162.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.3 m 63.66 161.36 0.1 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.756 1.222 . . . . 0.0 110.166 -154.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m 49.95 -167.87 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.701 0.8 . . . . 0.0 112.012 -161.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.03 -76.87 0.4 Allowed Glycine 0 C--N 1.334 0.471 0 N-CA-C 105.961 -2.856 . . . . 0.0 105.961 169.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.02 135.31 55.46 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 160.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -73.24 164.81 58.22 Favored Pre-proline 0 C--O 1.242 0.691 0 C-N-CA 123.723 0.809 . . . . 0.0 110.676 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -72.4 178.99 5.48 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.416 2.077 . . . . 0.0 110.05 164.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 57.36 64.18 1.67 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.747 2.019 . . . . 0.0 111.881 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -62.05 144.96 93.75 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.754 170.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.64 162.0 30.47 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.306 2.67 . . . . 0.0 111.646 -173.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -109.42 14.47 23.6 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.686 1.594 . . . . 0.0 113.23 -172.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -83.58 153.75 24.16 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 168.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.9 p -144.37 -1.78 0.91 Allowed 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.688 1.195 . . . . 0.0 113.348 -173.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 m -123.93 141.19 52.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 118.49 0.587 . . . . 0.0 109.789 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.76 -53.95 9.63 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 125.484 1.516 . . . . 0.0 113.015 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.9 ptp -54.26 -27.93 38.26 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.474 1.51 . . . . 0.0 114.302 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.07 -34.32 10.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.435 1.016 . . . . 0.0 110.983 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.45 -40.03 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 167.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -60.88 3.16 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.906 1.23 . . . . 0.0 111.551 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p -63.02 -24.67 68.03 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.708 -0.62 . . . . 0.0 112.061 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -74.11 -42.88 59.37 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.378 1.071 . . . . 0.0 109.56 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.38 -48.96 79.66 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.723 1.209 . . . . 0.0 110.309 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 63' ' ' ALA . 58.0 t -53.96 -44.94 63.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.919 0.887 . . . . 0.0 109.744 172.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.54 -59.82 4.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.31 0.959 . . . . 0.0 110.339 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.03 -40.95 97.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 113.145 -169.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -119.78 -24.01 6.3 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 97.17 158.17 30.98 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -168.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -27.84 58.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.847 1.659 . . . . 0.0 115.009 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.34 -74.99 0.09 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.42 1.088 . . . . 0.0 110.354 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.17 -24.61 66.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.876 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.87 -18.9 25.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.078 -0.963 . . . . 0.0 112.298 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.79 -56.97 2.28 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 118.951 0.796 . . . . 0.0 110.408 162.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.33 -29.96 6.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.736 2.014 . . . . 0.0 116.396 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.82 -53.62 4.66 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 169.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.74 -26.19 22.24 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.323 1.449 . . . . 0.0 114.3 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.78 -40.28 79.45 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 127.317 2.247 . . . . 0.0 110.068 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -20.97 53.77 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.283 0.947 . . . . 0.0 112.697 -166.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 58.4 p -62.49 -25.53 68.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.286 1.434 . . . . 0.0 110.59 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -58.43 -39.21 79.18 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.95 -36.87 64.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.597 1.159 . . . . 0.0 108.699 -170.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.11 -55.15 6.02 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.274 1.03 . . . . 0.0 111.956 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 53.7 mtp -73.82 -18.0 61.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.967 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.86 6.91 69.13 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.354 1.931 . . . . 0.0 115.269 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.2 95.59 5.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.572 2.186 . . . . 0.0 111.003 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.77 -59.06 5.24 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.083 1.353 . . . . 0.0 110.9 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.0 t -67.12 -18.85 65.48 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.857 -170.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 22.4 mt -69.37 -62.35 1.41 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.494 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 19.0 t -50.5 -39.15 47.74 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 118.573 0.624 . . . . 0.0 112.095 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.01 -83.41 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.898 2.079 . . . . 0.0 109.127 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.52 -25.2 67.91 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.515 -1.366 . . . . 0.0 113.751 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.26 -24.28 18.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.053 0.941 . . . . 0.0 112.723 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -139.66 26.34 2.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.247 1.419 . . . . 0.0 110.982 -163.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -128.63 38.49 3.95 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.616 -1.303 . . . . 0.0 112.259 -175.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 82.63 6.75 88.26 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 126.161 1.839 . . . . 0.0 113.303 170.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.41 7.79 0.74 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.003 2.121 . . . . 0.0 115.747 -163.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -43.1 131.97 5.44 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 126.022 1.772 . . . . 0.0 112.728 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 48.33 173.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 130.224 3.41 . . . . 0.0 117.273 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 -172.749 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 122.816 1.293 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.77 140.37 44.26 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 128.888 2.875 . . . . 0.0 106.404 173.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.01 70.11 1.35 Allowed Glycine 0 N--CA 1.435 -1.388 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -48.41 -43.1 26.97 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 162.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.461 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . -162.45 31.38 0.11 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.732 0.813 . . . . 0.0 111.913 -170.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -146.26 -64.71 0.3 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.031 -1.043 . . . . 0.0 109.163 -176.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.76 -101.01 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 126.31 1.91 . . . . 0.0 111.718 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -54.44 -26.03 28.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 117.845 -1.074 . . . . 0.0 113.148 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -49.73 -51.32 39.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.123 1.328 . . . . 0.0 110.587 169.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -21.81 65.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 117.754 -1.117 . . . . 0.0 111.396 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.64 -43.79 62.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.971 1.26 . . . . 0.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.49 -42.04 91.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.884 -1.135 . . . . 0.0 108.681 168.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.69 8.07 2.63 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -110.7 -8.0 14.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.547 1.939 . . . . 0.0 110.996 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -59.25 2.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 169.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.82 165.1 25.52 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.39 1.476 . . . . 0.0 111.144 -174.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.26 -169.85 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.009 1.323 . . . . 0.0 111.58 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -53.11 -11.64 0.28 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.61 -66.14 0.59 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.98 0.912 . . . . 0.0 109.585 163.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -104.21 -22.58 13.37 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.611 -0.68 . . . . 0.0 109.596 -157.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.485 HD21 ' HA2' ' A' ' 108' ' ' GLY . 2.8 tm? -58.02 -41.01 82.23 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.655 1.182 . . . . 0.0 109.333 167.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -66.36 0.53 Allowed 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 125.415 1.486 . . . . 0.0 110.079 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.61 71.33 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.92 0.782 . . . . 0.0 110.818 -172.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 56.2 t80 -55.43 -60.52 3.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.644 1.111 . . . . 0.0 111.278 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -68.46 -28.1 66.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.527 -0.733 . . . . 0.0 111.289 -171.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.39 -65.63 0.65 Allowed 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 126.871 2.068 . . . . 0.0 109.274 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.45 -41.18 89.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.266 1.026 . . . . 0.0 111.376 -176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.73 -50.85 71.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.009 0.924 . . . . 0.0 108.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.31 -29.4 70.48 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 118.976 -0.535 . . . . 0.0 111.898 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -68.48 -49.09 62.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.71 0.686 . . . . 0.0 109.961 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -60.76 2.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 128.298 2.639 . . . . 0.0 110.366 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.57 95.82 1.12 Allowed 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.44 102.44 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.942 1.297 . . . . 0.0 110.492 175.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.9 p -151.4 164.81 35.89 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 61.04 -55.31 0.1 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 127.293 2.237 . . . . 0.0 112.1 -164.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 p -57.22 87.79 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.192 2.197 . . . . 0.0 111.457 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 p -156.0 -52.45 0.08 Allowed 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.556 -0.715 . . . . 0.0 110.458 -171.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.1 m -130.13 -2.93 4.51 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.309 0.643 . . . . 0.0 112.058 -168.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.06 -8.22 6.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.258 1.408 . . . . 0.0 114.794 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -79.1 102.69 8.56 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.147 1.779 . . . . 0.0 111.319 -168.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.266 0.3 OUTLIER 70.35 166.45 0.13 Allowed Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 126.027 1.731 . . . . 0.0 113.923 163.617 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.35 168.71 23.49 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.08 3.186 . . . . 0.0 111.336 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.43 74.3 0.61 Allowed 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -90.52 138.62 26.7 Favored Pre-proline 0 C--O 1.239 0.53 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.62 162.84 34.96 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 124.145 3.23 . . . . 0.0 110.162 169.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -126.01 22.47 7.33 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.263 1.425 . . . . 0.0 112.16 -167.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -126.77 147.48 49.99 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 123.88 0.872 . . . . 0.0 109.581 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -144.42 14.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.448 1.099 . . . . 0.0 111.955 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 m -136.87 148.83 47.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.485 ' HA2' HD21 ' A' ' 79' ' ' LEU . . . -59.07 -45.96 94.48 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 124.195 0.902 . . . . 0.0 112.378 -165.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ptp -66.17 -23.97 66.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.929 -0.748 . . . . 0.0 111.725 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -89.89 -35.95 15.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.618 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.4 HG22 ' HA2' ' A' ' 108' ' ' GLY . 28.6 m -67.66 -33.42 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 119.826 1.193 . . . . 0.0 109.833 169.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.21 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.175 -0.953 . . . . 0.0 111.233 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.8 t -52.8 -37.99 60.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.042 0.937 . . . . 0.0 111.222 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.87 75.93 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.687 1.195 . . . . 0.0 110.335 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.58 -32.27 60.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.473 -0.767 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.461 HG11 ' HB3' ' A' ' 63' ' ' ALA . 86.9 t -64.23 -42.41 95.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.37 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.954 0.797 . . . . 0.0 111.278 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -68.0 -55.38 12.84 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.665 174.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 123' ' ' ARG . 20.9 m-85 -133.75 -2.67 2.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 117.778 2.51 . . . . 0.0 117.778 -162.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.25 167.49 24.82 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 120.818 1.644 . . . . 0.0 112.24 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.97 42.97 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.73 2.012 . . . . 0.0 114.132 -170.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -64.52 -83.97 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 119.226 0.921 . . . . 0.0 108.558 167.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.412 ' HB2' ' HB3' ' A' ' 119' ' ' TYR . 4.5 mpt_? -63.29 -28.66 70.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.633 -0.667 . . . . 0.0 111.699 -169.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.89 -11.43 18.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.586 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.23 -52.5 2.17 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.828 164.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -45.7 -42.47 11.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.867 2.067 . . . . 0.0 114.092 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -46.8 13.6 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.517 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -49.98 -37.11 30.96 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.817 2.047 . . . . 0.0 113.047 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -45.68 84.27 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 126.18 1.792 . . . . 0.0 110.524 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -34.49 73.32 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.826 0.45 . . . . 0.0 110.737 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -68.89 -16.76 63.85 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.991 -1.068 . . . . 0.0 110.576 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -73.44 -31.3 63.74 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.259 -0.9 . . . . 0.0 111.744 167.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -43.92 81.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.723 171.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -52.9 -62.53 1.59 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.561 1.144 . . . . 0.0 110.303 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.438 ' HB3' HD23 ' A' ' 137' ' ' LEU . 38.5 mtp -72.16 -8.39 54.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.088 -175.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.9 14.32 82.73 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 119.826 1.194 . . . . 0.0 113.792 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 135' ' ' MET . 4.5 mm? -78.86 69.57 5.05 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 126.455 1.902 . . . . 0.0 108.708 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -67.86 -28.17 67.32 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 117.028 -1.463 . . . . 0.0 111.826 -175.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.1 m -57.5 -47.15 82.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.267 1.394 . . . . 0.0 109.895 171.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.7 mt -67.25 -46.62 73.17 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.108 0.563 . . . . 0.0 111.147 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.85 -46.12 88.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.876 0.87 . . . . 0.0 109.902 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.01 1.45 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.483 1.513 . . . . 0.0 109.337 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.89 -28.89 67.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.682 1.128 . . . . 0.0 113.428 -173.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.99 58.14 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -138.24 22.45 2.78 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.086 2.555 . . . . 0.0 109.287 -171.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -139.29 66.33 1.41 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.455 1.502 . . . . 0.0 109.38 -177.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.87 14.17 63.37 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 118.879 -0.956 . . . . 0.0 113.205 175.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -143.17 54.09 1.36 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.785 1.293 . . . . 0.0 109.995 172.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -61.61 -63.14 5.08 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.85 -76.11 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.941 1.697 . . . . 0.0 109.253 -164.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.45 -0.468 0 C-N-CA 125.871 1.668 . . . . 0.0 107.831 163.956 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.7 mmm . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -142.48 109.87 5.68 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 127.582 2.353 . . . . 0.0 105.371 170.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.71 -10.23 2.65 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-O 119.384 -0.676 . . . . 0.0 114.222 -169.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.48 -49.85 0.83 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.62 -8.04 0.27 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 39.7 p-90 -110.22 12.01 23.43 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -150.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -17.88 57.81 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.444 -1.198 . . . . 0.0 115.164 -172.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.09 -36.75 9.59 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.093 1.947 . . . . 0.0 110.764 166.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.46 -45.62 73.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.113 1.324 . . . . 0.0 109.783 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.37 70.29 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.058 -0.972 . . . . 0.0 112.393 175.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -64.51 -41.81 96.19 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.053 1.297 . . . . 0.0 110.293 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -58.23 -53.87 53.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.86 -4.24 4.24 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.123 2.169 . . . . 0.0 113.647 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -91.47 -17.16 26.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.394 1.477 . . . . 0.0 111.069 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.637 ' HE1' HD11 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -77.44 -55.44 5.38 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.583 1.538 . . . . 0.0 110.234 -179.083 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -67.54 157.58 34.0 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.856 1.262 . . . . 0.0 110.748 177.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -120.23 -172.45 2.36 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.766 1.627 . . . . 0.0 107.363 169.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 106' ' ' THR . 3.4 mptt -53.04 -15.57 0.85 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -175.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.88 -37.63 32.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.02 2.128 . . . . 0.0 112.187 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.42 -6.15 0.48 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.402 0.681 . . . . 0.0 111.921 169.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.95 -40.09 75.77 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.481 -2.012 . . . . 0.0 111.201 165.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -57.81 -55.41 35.26 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 173.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -54.47 -38.81 66.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.296 1.038 . . . . 0.0 111.023 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -56.27 -61.3 2.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.531 1.06 . . . . 0.0 110.033 172.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -27.52 67.25 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.257 0.935 . . . . 0.0 112.81 -172.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -63.08 -68.11 0.37 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 129.464 3.105 . . . . 0.0 108.749 172.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.33 -47.1 86.67 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.331 1.452 . . . . 0.0 109.375 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -50.75 -52.41 40.88 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.33 1.452 . . . . 0.0 111.14 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.29 -21.68 65.67 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.495 -0.753 . . . . 0.0 112.194 -176.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -88.31 -45.33 10.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.14 0.976 . . . . 0.0 109.988 -176.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -61.94 1.98 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.777 2.031 . . . . 0.0 109.745 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.91 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.23 2.212 . . . . 0.0 113.648 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.38 45.85 1.3 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.217 1.007 . . . . 0.0 109.629 171.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -142.5 151.5 41.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.14 0.976 . . . . 0.0 109.84 -173.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -146.07 -20.36 0.45 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.613 1.165 . . . . 0.0 112.138 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.3 p -144.2 75.3 1.46 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.381 1.072 . . . . 0.0 108.129 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.4 m 66.64 -45.27 0.44 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.592 2.757 . . . . 0.0 115.132 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.0 -86.2 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.829 2.051 . . . . 0.0 109.193 -163.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.77 9.9 0.02 OUTLIER Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.57 1.081 . . . . 0.0 112.825 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -70.24 164.27 24.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.798 1.299 . . . . 0.0 110.413 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.43 148.16 38.21 Favored Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.49 155.87 67.54 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 121.19 1.26 . . . . 0.0 110.878 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.56 168.19 26.71 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 127.622 2.369 . . . . 0.0 107.354 173.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -134.98 148.67 67.84 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 123.779 0.832 . . . . 0.0 110.502 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.96 160.44 43.11 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.795 2.997 . . . . 0.0 113.553 -174.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -139.52 72.64 1.4 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.774 1.63 . . . . 0.0 107.256 163.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.449 ' HE3' ' CG ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -162.6 127.35 3.18 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.144 -0.973 . . . . 0.0 110.509 179.127 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.432 ' O ' ' HE3' ' A' ' 76' ' ' LYS 0.267 2.2 t -133.07 16.23 4.17 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.558 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.41 152.63 20.5 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 119.932 -1.73 . . . . 0.0 107.6 159.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.5 -35.23 74.89 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 169.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ptp -68.44 -7.62 33.44 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.694 -1.474 . . . . 0.0 113.105 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -99.09 -29.91 12.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.232 1.413 . . . . 0.0 111.338 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.95 -27.75 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 119.662 -1.899 . . . . 0.0 110.8 168.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -61.03 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.119 1.368 . . . . 0.0 112.396 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 p -56.69 -31.24 64.27 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.449 ' CG ' ' HE3' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -68.97 -40.03 79.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.851 0.75 . . . . 0.0 111.138 179.577 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.52 -44.47 82.41 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.792 -0.567 . . . . 0.0 109.512 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 10.4 t -67.39 -31.8 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 122.941 0.496 . . . . 0.0 110.473 173.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.55 87.92 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.152 -0.968 . . . . 0.0 111.788 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -74.73 -58.29 3.38 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.681 -0.637 . . . . 0.0 110.858 175.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.68 6.64 6.79 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -162.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 70.58 -106.85 1.97 Allowed Glycine 0 C--O 1.216 -0.999 0 CA-C-O 123.031 1.351 . . . . 0.0 111.353 -178.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -120.61 -46.18 2.38 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.513 -2.169 . . . . 0.0 110.458 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -52.7 -82.77 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 -174.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -19.18 64.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.657 1.117 . . . . 0.0 111.354 177.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -17.51 63.72 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 120.168 1.349 . . . . 0.0 111.824 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -54.9 2.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 124.051 0.94 . . . . 0.0 108.82 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.12 -37.51 15.58 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.731 1.605 . . . . 0.0 114.889 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -56.19 4.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 172.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.78 24.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -52.47 -38.93 60.48 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 128.406 2.682 . . . . 0.0 111.445 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -53.09 -34.77 58.11 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -12.75 61.04 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.706 -1.246 . . . . 0.0 110.986 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' TRP . . . . . 0.519 ' CH2' HD13 ' A' ' 140' ' ' LEU . 7.4 m95 -78.85 -18.35 54.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 120.69 -1.256 . . . . 0.0 112.565 169.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.03 -57.2 12.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 161.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.35 -50.31 74.12 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.775 1.23 . . . . 0.0 112.312 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.425 ' HB3' HD23 ' A' ' 137' ' ' LEU . 42.2 mtp -84.29 -12.24 55.0 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.414 -0.804 . . . . 0.0 112.802 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.29 7.3 88.56 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 119.338 0.972 . . . . 0.0 115.406 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 135' ' ' MET . 3.9 mm? -79.32 80.85 5.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.127 1.464 . . . . 0.0 108.539 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -55.09 -46.42 75.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.498 177.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.1 p -46.87 -53.35 12.32 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 126.473 1.909 . . . . 0.0 111.183 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.637 HD11 ' HE1' ' A' ' 73' ' ' PHE . 89.5 mt -68.34 -40.71 81.48 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.754 -0.591 . . . . 0.0 110.864 -174.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 20.6 t -60.59 -43.84 96.9 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.271 0.487 . . . . 0.0 110.414 173.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.88 -63.55 1.06 Allowed 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.397 1.479 . . . . 0.0 108.88 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -53.54 -26.04 19.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.478 1.49 . . . . 0.0 113.152 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.65 63.58 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.14 1.336 . . . . 0.0 113.126 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -142.82 8.55 1.71 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 120.822 1.646 . . . . 0.0 112.747 -163.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -103.58 19.31 20.05 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.095 1.758 . . . . 0.0 110.349 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.4 31.0 75.84 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 125.052 1.311 . . . . 0.0 110.575 -171.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 55.86 6.37 0.21 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.003 2.121 . . . . 0.0 114.533 -166.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.7 65.97 1.62 Allowed Glycine 0 C--N 1.334 0.458 0 N-CA-C 107.439 -2.265 . . . . 0.0 107.439 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -146.29 -22.58 0.44 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 117.298 -1.334 . . . . 0.0 114.452 -171.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 C--O 1.24 0.59 0 CA-C-N 120.318 1.417 . . . . 0.0 109.859 -175.748 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 118.935 -0.555 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.88 -113.47 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -47.84 -22.01 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 127.629 2.372 . . . . 0.0 113.744 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.43 -51.13 37.54 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.309 1.413 . . . . 0.0 109.662 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.58 -11.24 60.57 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.87 -42.37 63.74 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 119.891 1.223 . . . . 0.0 109.547 171.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -57.7 -45.95 85.01 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.67 17.06 0.58 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.534 1.134 . . . . 0.0 112.904 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -24.06 13.76 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.86 -1.15 . . . . 0.0 110.263 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -67.09 -49.59 64.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.576 0.625 . . . . 0.0 109.403 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -96.8 151.64 19.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.093 0.949 . . . . 0.0 111.884 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -126.83 -168.75 1.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 128.606 2.763 . . . . 0.0 107.108 -175.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -27.84 34.85 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 0.0 112.821 -171.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.17 -34.97 4.66 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -143.37 -9.07 0.75 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 170.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.18 -37.53 83.26 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.922 2.146 . . . . 0.0 111.747 171.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HE3' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -62.15 -52.81 62.32 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.677 169.56 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.65 -37.6 73.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.659 1.118 . . . . 0.0 111.034 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.85 -59.12 5.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 119.055 0.843 . . . . 0.0 111.087 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -63.08 -23.64 67.54 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.753 -0.592 . . . . 0.0 112.232 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.06 -65.84 0.79 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 127.649 2.38 . . . . 0.0 109.932 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 mt -50.36 -44.35 54.64 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.114 2.166 . . . . 0.0 111.329 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 127' ' ' LEU . 2.3 tp -40.89 -59.23 1.48 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.553 2.341 . . . . 0.0 110.923 168.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.76 -20.16 64.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.023 0.529 . . . . 0.0 112.169 -171.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -77.64 -51.33 10.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -54.09 50.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.019 1.328 . . . . 0.0 109.409 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 C-N-CA 129.694 3.198 . . . . 0.0 113.227 167.126 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.266 12.9 t -109.88 -35.13 6.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.494 -168.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.6 t -79.25 161.86 26.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 120.578 1.535 . . . . 0.0 108.583 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.46 -42.69 90.03 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 170.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 30.6 mtm -55.04 -39.94 69.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 122.038 0.923 . . . . 0.0 111.099 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.75 -42.0 59.04 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.426 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.49 -25.24 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.387 0.675 . . . . 0.0 109.948 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 109' ' ' MET . . . -66.46 -65.39 0.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.028 -1.045 . . . . 0.0 111.618 174.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.4 m -65.64 -16.96 64.23 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.49 -54.97 10.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.716 1.206 . . . . 0.0 109.191 169.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.19 -34.76 76.87 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.577 -0.702 . . . . 0.0 111.946 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.24 -23.33 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 121.83 -0.544 . . . . 0.0 110.907 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.25 -47.59 17.59 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.018 -1.051 . . . . 0.0 109.5 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -52.4 -46.53 66.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.816 0.846 . . . . 0.0 110.064 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.75 -77.48 0.59 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.962 0.905 . . . . 0.0 110.241 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 151.14 -172.78 30.71 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 105.208 -3.157 . . . . 0.0 105.208 -162.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.93 -42.89 85.76 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.445 2.123 . . . . 0.0 110.204 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.61 -79.6 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.637 1.175 . . . . 0.0 111.284 -168.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -70.46 -4.99 25.38 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 117.335 -1.317 . . . . 0.0 112.061 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.04 -72.75 0.14 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 120.457 1.481 . . . . 0.0 107.75 160.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -72.05 -40.6 68.23 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -165.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.16 -40.51 81.62 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.026 -1.046 . . . . 0.0 111.067 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 86' ' ' LEU . 3.4 tt -77.28 -36.55 54.18 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.877 1.271 . . . . 0.0 109.315 176.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.99 78.31 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.446 -1.409 . . . . 0.0 111.566 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.11 -20.79 65.84 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.634 1.573 . . . . 0.0 112.524 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -75.91 -47.3 25.83 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.871 -0.518 . . . . 0.0 110.875 161.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.7 m -61.78 -25.76 67.67 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.486 -1.384 . . . . 0.0 111.315 -168.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -76.21 -21.3 56.61 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.268 -1.52 . . . . 0.0 112.546 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -36.57 84.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.974 1.31 . . . . 0.0 109.275 167.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.92 -59.82 3.47 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.355 0.662 . . . . 0.0 109.511 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -61.75 -47.79 83.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.129 0.877 . . . . 0.0 112.369 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.86 41.98 1.75 Allowed Glycine 0 CA--C 1.522 0.52 0 CA-C-N 118.715 0.689 . . . . 0.0 111.817 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.453 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.7 mm? -104.12 70.64 0.99 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 118.542 1.171 . . . . 0.0 108.268 173.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -60.31 -32.52 71.3 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.629 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -57.09 -42.27 80.39 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 119.099 -0.477 . . . . 0.0 110.552 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.793 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.5 mm? -71.8 -48.82 43.82 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 118.662 0.665 . . . . 0.0 109.316 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.25 -27.64 47.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.288 1.035 . . . . 0.0 112.43 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.43 -61.65 1.88 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.224 1.41 . . . . 0.0 109.407 171.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -49.31 -42.16 40.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.9 2.08 . . . . 0.0 111.913 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -20.1 52.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.398 1.879 . . . . 0.0 113.299 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 125.428 1.491 . . . . 0.0 112.259 -172.631 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 51.35 -114.1 2.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -25.39 61.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 118.259 -0.876 . . . . 0.0 112.277 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -50.81 -50.95 55.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 119.836 1.198 . . . . 0.0 111.0 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.12 -21.7 66.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.515 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.74 -35.48 77.16 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.011 1.278 . . . . 0.0 111.278 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -65.65 -44.17 87.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.333 0.97 . . . . 0.0 108.702 172.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt -72.68 -2.58 20.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.4 0.68 . . . . 0.0 112.58 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.11 -7.6 55.44 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.295 1.438 . . . . 0.0 111.673 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -84.11 -69.13 0.66 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 120.074 1.307 . . . . 0.0 108.974 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.16 165.94 12.76 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 111.98 178.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -132.13 -167.72 1.93 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.803 2.041 . . . . 0.0 107.397 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.411 ' H ' ' HD2' ' A' ' 76' ' ' LYS . 9.8 mptt -51.54 -29.28 16.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.37 1.468 . . . . 0.0 112.033 -166.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -42.46 -43.33 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.918 2.087 . . . . 0.0 112.386 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -125.8 -28.95 3.17 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.698 0.799 . . . . 0.0 110.137 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.9 tp -50.39 -34.7 25.24 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 119.44 -2.038 . . . . 0.0 113.09 170.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -52.53 63.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.098 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.25 -44.41 79.63 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 116.698 -1.62 . . . . 0.0 109.752 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.86 -61.39 2.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 121.204 1.82 . . . . 0.0 110.17 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -66.01 -26.14 67.4 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.38 -1.45 . . . . 0.0 112.023 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -57.46 3.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.045 -1.035 . . . . 0.0 110.759 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.05 -21.78 34.0 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.013 1.325 . . . . 0.0 112.085 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -68.19 0.39 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.43 78.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.933 1.293 . . . . 0.0 111.489 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -67.04 -19.0 65.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.325 1.45 . . . . 0.0 113.518 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -83.02 -54.12 5.3 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 166.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.607 0 C-N-CA 126.845 2.058 . . . . 0.0 111.0 -165.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -132.3 65.95 1.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.697 1.199 . . . . 0.0 107.928 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 65.8 m -134.12 143.57 48.05 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 166.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.66 46.09 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.001 0.81 . . . . 0.0 111.179 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.1 mtm -54.18 -35.8 62.72 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.418 1.087 . . . . 0.0 112.476 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -90.56 -40.79 11.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.986 -167.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.48 -37.25 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 167.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.72 66.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.353 0.979 . . . . 0.0 112.549 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -60.08 -29.2 68.41 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.066 -0.396 . . . . 0.0 111.178 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.34 -43.1 58.05 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.4 1.48 . . . . 0.0 110.239 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.94 -42.41 76.76 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.375 -0.828 . . . . 0.0 110.665 -172.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.82 -30.87 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.908 0.776 . . . . 0.0 110.05 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.03 -0.18 26.91 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -117.41 -40.28 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 0.0 109.646 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.22 -17.51 10.78 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.904 1.681 . . . . 0.0 114.667 -172.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.95 155.97 0.96 Allowed Glycine 0 CA--C 1.53 1.007 0 CA-C-N 119.6 1.091 . . . . 0.0 111.155 -165.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -8.51 12.18 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -170.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -68.41 -81.62 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.761 0.824 . . . . 0.0 109.111 166.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.28 -28.66 70.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.679 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.29 -16.75 48.88 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.64 1.109 . . . . 0.0 112.115 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -113.32 -46.99 3.04 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 119.568 1.076 . . . . 0.0 111.767 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.97 -32.83 68.24 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.521 1.055 . . . . 0.0 112.094 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.7 tt -81.49 -37.06 28.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.622 -1.299 . . . . 0.0 110.018 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.43 76.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.659 0.784 . . . . 0.0 110.944 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.79 -34.36 67.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.481 -0.762 . . . . 0.0 110.567 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -70.16 -57.35 5.03 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.493 1.042 . . . . 0.0 110.675 167.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.5 m -39.42 -47.6 1.82 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.623 1.969 . . . . 0.0 113.767 -163.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.619 ' CZ3' HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -92.17 -3.04 56.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -173.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -55.71 -53.72 53.16 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.714 159.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -67.09 -17.5 64.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.363 -0.827 . . . . 0.0 112.597 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.5 mtm -80.68 -8.93 59.8 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.117 1.326 . . . . 0.0 112.773 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.82 43.02 85.27 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 120.044 1.293 . . . . 0.0 112.404 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.725 ' HB2' HD23 ' A' ' 140' ' ' LEU 0.583 0.0 OUTLIER -126.72 59.02 1.39 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.405 1.482 . . . . 0.0 111.617 170.836 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -57.62 -25.17 59.73 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.4 m -63.79 -22.93 67.15 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.073 1.306 . . . . 0.0 113.12 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.725 HD23 ' HB2' ' A' ' 137' ' ' LEU . 2.5 mm? -64.23 -57.29 9.9 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.111 1.365 . . . . 0.0 108.405 168.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -49.22 24.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.67 1.588 . . . . 0.0 109.941 176.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.34 25.2 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -54.66 -36.98 65.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.813 0.733 . . . . 0.0 112.228 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.64 -21.13 9.65 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.358 1.463 . . . . 0.0 113.034 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 . . . . . 0 CA--C 1.537 0.48 0 CA-C-N 119.862 1.21 . . . . 0.0 111.534 -176.685 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.29 -79.18 0.31 Allowed Glycine 0 CA--C 1.508 -0.355 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 mtm105 -41.84 -52.29 4.05 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.153 1.381 . . . . 0.0 111.686 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -55.56 -44.98 77.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.82 60.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.87 0.759 . . . . 0.0 111.877 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -66.38 -58.89 4.33 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.342 1.457 . . . . 0.0 109.427 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -65.4 -37.55 87.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 120.717 -1.239 . . . . 0.0 110.733 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.48 -1.94 7.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.817 1.647 . . . . 0.0 112.367 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -101.27 -20.64 15.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 110.671 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.498 ' HE2' HD11 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -64.07 -53.71 45.47 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 119.901 1.228 . . . . 0.0 108.166 178.303 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.4 154.29 24.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.637 1.208 . . . . 0.0 110.437 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -120.46 179.6 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.226 1.811 . . . . 0.0 106.8 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -27.73 0.64 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.574 1.55 . . . . 0.0 114.023 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -31.07 -61.32 0.19 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.996 2.118 . . . . 0.0 112.061 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -118.19 -25.79 6.53 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.988 1.715 . . . . 0.0 110.669 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.1 -31.96 71.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.245 1.418 . . . . 0.0 111.028 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -68.0 0.35 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 115.534 -2.174 . . . . 0.0 110.107 172.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' CD1' ' A' ' 85' ' ' LEU . 14.4 mt-10 -28.83 -61.95 0.12 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 125.815 1.947 . . . . 0.0 109.01 166.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -50.99 -66.8 0.32 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.381 1.446 . . . . 0.0 113.914 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -31.68 72.58 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.97 -1.706 . . . . 0.0 112.551 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 85' ' ' LEU . 3.8 tt -72.48 -62.01 1.59 Allowed 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.332 2.253 . . . . 0.0 109.628 -177.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -58.72 -31.25 68.1 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 128.805 2.842 . . . . 0.0 111.55 177.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.01 -56.31 13.84 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.584 1.154 . . . . 0.0 109.021 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.65 81.36 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.661 0.384 . . . . 0.0 110.495 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -55.87 -58.79 6.4 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.91 0.884 . . . . 0.0 110.508 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.83 64.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.758 -172.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 172.93 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.26 5.7 t 60.61 -11.51 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 128.17 2.588 . . . . 0.0 116.131 173.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 m -134.8 145.46 48.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.717 1.144 . . . . 0.0 109.253 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.64 70.06 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 119.58 -0.566 . . . . 0.0 111.982 -169.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.3 ptp -68.06 -20.89 65.01 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -54.1 5.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.48 -33.44 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.352 1.061 . . . . 0.0 109.235 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.81 -56.6 17.66 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.252 1.021 . . . . 0.0 112.684 173.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -35.53 74.8 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.286 0.366 . . . . 0.0 110.44 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -35.37 78.87 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.969 0.508 . . . . 0.0 109.652 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tp -68.62 -45.11 72.78 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 120.587 -1.321 . . . . 0.0 110.228 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.4 t -67.97 -23.25 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.945 0.898 . . . . 0.0 110.52 174.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.73 -30.28 40.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.556 -1.34 . . . . 0.0 111.405 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -78.61 -48.18 15.65 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.524 -1.36 . . . . 0.0 110.558 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 123' ' ' ARG . 71.8 m-85 -128.1 -36.66 1.94 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 117.23 -1.367 . . . . 0.0 113.672 -172.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.55 -121.76 5.21 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 119.468 1.031 . . . . 0.0 111.515 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -118.87 -23.61 6.89 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.639 -1.506 . . . . 0.0 112.045 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -73.74 -90.96 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.283 1.033 . . . . 0.0 108.365 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.457 ' HB3' ' CD2' ' A' ' 119' ' ' TYR . 1.5 mpp_? -59.9 -26.18 65.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.032 -1.042 . . . . 0.0 113.306 -173.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.76 -18.99 58.14 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.493 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.519 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -118.32 -51.96 2.4 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -45.92 -34.8 4.13 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.147 1.779 . . . . 0.0 114.503 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.03 -39.02 11.88 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 119.926 -1.734 . . . . 0.0 109.867 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 125' ' ' TRP . . . -52.51 -45.44 66.25 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.006 1.722 . . . . 0.0 111.541 174.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -57.8 -48.19 80.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.713 1.205 . . . . 0.0 110.275 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 0.6 OUTLIER -55.55 -34.56 64.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.103 0.961 . . . . 0.0 111.444 172.255 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.1 m -67.59 -27.99 67.38 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.452 -1.405 . . . . 0.0 110.25 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -68.95 -27.6 65.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.334 -0.854 . . . . 0.0 111.017 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.83 -35.81 75.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.317 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -58.77 -43.8 90.48 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.504 1.047 . . . . 0.0 110.226 170.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 50.4 mtp -74.66 -11.19 60.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.67 13.15 63.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.291 0.95 . . . . 0.0 114.539 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 HD12 ' A' ' 140' ' ' LEU 0.663 0.0 OUTLIER -118.5 63.41 0.77 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.886 1.843 . . . . 0.0 114.796 -179.047 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -55.66 -19.55 11.04 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 120.073 -1.642 . . . . 0.0 113.71 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.64 -46.84 5.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 120.387 1.449 . . . . 0.0 113.566 165.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.582 HD12 HD23 ' A' ' 137' ' ' LEU . 58.4 mt -72.05 -41.13 67.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -176.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 39.3 t -57.88 -42.17 84.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.306 1.442 . . . . 0.0 110.861 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.19 -70.28 0.22 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.16 2.184 . . . . 0.0 109.373 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.73 -35.54 61.3 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.63 1.104 . . . . 0.0 111.719 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.93 68.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 117.383 -1.294 . . . . 0.0 113.756 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 120.769 1.622 . . . . 0.0 111.194 178.833 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.35 -107.71 0.73 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.312 1.434 . . . . 0.0 111.695 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -29.53 3.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.327 1.851 . . . . 0.0 113.232 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -37.73 -48.15 1.05 Allowed 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 126.458 1.903 . . . . 0.0 112.367 173.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.04 -25.62 65.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 118.341 -0.838 . . . . 0.0 112.208 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.14 -38.09 66.39 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.539 1.063 . . . . 0.0 111.007 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -61.64 -15.45 39.82 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.252 1.021 . . . . 0.0 110.836 171.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 mt -118.96 13.27 13.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.782 2.033 . . . . 0.0 110.734 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -114.5 -26.74 7.8 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.001 1.72 . . . . 0.0 109.375 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -57.55 -31.1 65.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.871 0.468 . . . . 0.0 110.634 178.267 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.71 159.71 21.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.421 1.888 . . . . 0.0 109.659 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -124.46 -171.49 2.35 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.504 1.922 . . . . 0.0 107.216 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -11.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 126.451 1.9 . . . . 0.0 115.902 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -37.39 -55.87 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 125.658 1.583 . . . . 0.0 112.218 156.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -144.31 -18.33 0.56 Allowed 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 124.731 1.212 . . . . 0.0 110.936 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 tp -55.57 -34.83 65.13 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 119.471 -2.018 . . . . 0.0 111.29 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -62.64 1.7 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.451 1.9 . . . . 0.0 110.907 164.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.0 -34.44 42.72 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.624 1.102 . . . . 0.0 110.285 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -58.47 -60.05 4.41 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.35 0.977 . . . . 0.0 110.931 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -64.23 -14.49 55.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.001 0.819 . . . . 0.0 112.908 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -86.9 -61.74 1.66 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.816 1.246 . . . . 0.0 108.939 178.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.87 -21.01 62.83 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.944 1.298 . . . . 0.0 110.186 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.579 HD21 HD21 ' A' ' 115' ' ' LEU . 12.3 tp -58.22 -61.38 2.61 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.23 1.412 . . . . 0.0 108.991 173.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.41 -21.3 66.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -72.64 -25.66 61.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.306 1.042 . . . . 0.0 112.268 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -86.26 -41.49 14.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.241 166.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.865 0.841 . . . . 0.0 112.797 -172.402 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.269 14.0 t -140.07 73.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -140.36 136.78 33.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.52 -54.76 30.68 Favored Glycine 0 CA--C 1.524 0.598 0 O-C-N 123.691 0.62 . . . . 0.0 111.913 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -17.19 64.55 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.037 1.335 . . . . 0.0 113.614 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -87.64 -60.34 2.0 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.4 t -54.41 -27.53 17.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.861 0.864 . . . . 0.0 109.269 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.76 -57.3 11.41 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.927 1.291 . . . . 0.0 114.224 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.9 t -55.17 -38.29 68.11 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.223 0.609 . . . . 0.0 109.793 174.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.32 -47.25 57.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.625 1.17 . . . . 0.0 109.721 -171.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.579 HD21 HD21 ' A' ' 86' ' ' LEU . 7.9 mt -60.71 -48.92 79.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 119.186 0.903 . . . . 0.0 110.445 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -38.19 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.836 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.19 71.69 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.867 0.758 . . . . 0.0 110.941 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.451 ' HA ' HE21 ' A' ' 118' ' ' GLN . 1.9 mm-40 -68.26 -60.68 2.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.496 1.118 . . . . 0.0 111.607 -172.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -93.92 -19.24 21.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.247 -166.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.42 168.51 44.29 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -161.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.05 -29.04 67.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -160.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.14 -71.06 0.19 Allowed 'General case' 0 C--N 1.343 0.323 0 CA-C-N 120.201 1.364 . . . . 0.0 110.524 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -59.04 -25.42 63.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.111 1.364 . . . . 0.0 110.375 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.57 -13.02 18.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.467 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -121.08 -50.46 2.15 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 124.139 0.975 . . . . 0.0 110.216 161.075 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -55.85 -21.69 21.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 129.651 3.18 . . . . 0.0 115.546 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -48.23 4.75 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.059 1.344 . . . . 0.0 108.252 169.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.5 -46.59 13.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.249 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -57.58 -42.77 83.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 125.331 1.452 . . . . 0.0 111.547 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.09 -44.59 97.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.7 m -58.71 -22.36 57.23 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.79 -0.569 . . . . 0.0 111.965 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.406 ' CZ2' HD12 ' A' ' 140' ' ' LEU . 7.3 m0 -72.86 -29.71 63.41 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.809 -1.182 . . . . 0.0 112.376 173.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -30.57 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.739 0.7 . . . . 0.0 110.293 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -83.6 -29.71 27.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.579 1.552 . . . . 0.0 112.177 175.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.91 -33.36 75.43 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.949 1.25 . . . . 0.0 112.11 170.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 114.12 -1.81 24.05 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 117.796 -1.558 . . . . 0.0 114.136 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.428 ' HB3' HD23 ' A' ' 140' ' ' LEU . 16.1 mt -101.9 86.15 2.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 119.363 1.581 . . . . 0.0 109.001 -154.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -46.95 87.77 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 t -59.52 -37.14 77.57 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.547 0.739 . . . . 0.0 110.769 -173.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.443 HD21 ' CE2' ' A' ' 73' ' ' PHE . 1.9 mm? -64.0 -51.11 65.81 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.63 0.772 . . . . 0.0 109.454 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.81 -45.92 91.76 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.067 0.547 . . . . 0.0 110.721 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.74 64.25 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.572 1.149 . . . . 0.0 109.221 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -63.06 -11.07 16.98 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.693 -1.255 . . . . 0.0 112.741 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -96.74 -5.59 38.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.524 -1.36 . . . . 0.0 113.379 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 CA--C 1.535 0.39 0 C-N-CA 126.223 1.809 . . . . 0.0 109.946 -175.851 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.2 -107.4 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.5 mmt-85 -61.86 -8.95 5.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.612 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' A' ' 125' ' ' TRP . 6.6 mt -42.07 -55.7 3.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.567 1.147 . . . . 0.0 109.968 166.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.87 0.45 7.24 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 8.3 t -93.31 -46.55 7.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.169 1.388 . . . . 0.0 109.33 167.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.402 ' HB3' HD12 ' A' ' 140' ' ' LEU . 16.3 m-85 -61.32 -46.51 89.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.784 0.834 . . . . 0.0 109.738 176.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.11 6.77 2.51 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.719 1.208 . . . . 0.0 112.026 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.46 17.09 6.49 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.528 2.731 . . . . 0.0 108.681 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -79.81 -60.31 2.4 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 151.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 122.094 0.949 . . . . 0.0 112.362 -169.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -131.63 -161.25 1.11 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.646 1.578 . . . . 0.0 109.729 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' H ' ' HD2' ' A' ' 76' ' ' LYS . 7.4 mptt -59.3 -21.17 59.28 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.867 1.212 . . . . 0.0 111.901 -172.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -45.62 -58.36 3.48 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.508 1.123 . . . . 0.0 109.531 167.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -124.53 -31.7 3.21 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.28 0.632 . . . . 0.0 110.274 -156.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -57.46 -42.01 81.71 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -47.42 60.11 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 116.823 -1.56 . . . . 0.0 109.171 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.86 -54.38 29.79 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.852 1.206 . . . . 0.0 109.379 170.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.02 -12.11 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -44.5 14.46 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.577 1.08 . . . . 0.0 108.29 169.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.59 -54.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.168 1.787 . . . . 0.0 110.262 -170.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.15 -22.62 63.09 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.267 1.027 . . . . 0.0 110.489 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -59.38 3.76 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.636 1.575 . . . . 0.0 107.784 173.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.3 72.84 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.0 0.364 . . . . 0.0 110.401 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.56 -42.28 99.44 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.303 1.041 . . . . 0.0 109.783 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -62.59 -76.53 0.06 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.673 1.189 . . . . 0.0 108.777 173.087 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 127.805 2.442 . . . . 0.0 113.229 -166.541 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.286 0.089 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -139.02 -21.09 0.96 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.11 161.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m -124.92 150.11 46.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.94 1.245 . . . . 0.0 111.032 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.35 -21.2 68.27 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.941 1.257 . . . . 0.0 113.679 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.1 ptp -62.33 -30.47 71.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.611 0.705 . . . . 0.0 112.719 168.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -22.1 14.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.579 0.627 . . . . 0.0 110.968 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.92 -35.5 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 O-C-N 120.974 -1.079 . . . . 0.0 110.118 168.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.99 77.4 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.48 80.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.206 0.603 . . . . 0.0 111.128 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -44.38 87.36 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.586 0.754 . . . . 0.0 109.169 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.71 -38.65 80.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.751 -1.218 . . . . 0.0 112.046 -173.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.72 -28.33 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 118.527 0.603 . . . . 0.0 109.668 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.89 -48.3 59.22 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.731 1.15 . . . . 0.0 110.657 169.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -59.89 -42.88 94.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 112.579 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -138.23 -8.06 1.54 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.44 161.04 10.96 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-N 120.763 1.62 . . . . 0.0 110.83 -164.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.63 -23.25 64.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.509 1.524 . . . . 0.0 114.477 -166.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -57.9 -75.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.582 1.153 . . . . 0.0 109.842 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -28.27 67.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.48 -173.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.93 47.93 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.531 -0.747 . . . . 0.0 112.585 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.67 ' CD1' HD11 ' A' ' 129' ' ' LEU . 2.0 t-105 -115.94 -42.53 3.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.195 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.08 -42.75 39.89 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.188 -1.57 . . . . 0.0 112.318 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -36.88 46.7 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.49 0.662 . . . . 0.0 110.896 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.26 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.544 1.938 . . . . 0.0 111.798 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.67 HD11 ' CD1' ' A' ' 125' ' ' TRP . 4.5 mt -56.11 -43.94 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 126.074 1.75 . . . . 0.0 109.915 -175.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -61.91 -41.37 97.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.219 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.1 m -57.35 -22.58 43.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 111.183 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -75.88 -14.34 60.27 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.356 -1.465 . . . . 0.0 112.897 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.27 -22.8 61.16 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.722 1.147 . . . . 0.0 111.437 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.92 -58.27 6.59 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 167.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 26.2 mtp -81.03 -17.58 49.75 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -162.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.23 13.0 29.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 120.01 1.277 . . . . 0.0 114.696 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.421 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.3 mm? -97.76 64.48 1.77 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 120.966 -1.314 . . . . 0.0 110.94 -168.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -59.26 -48.27 82.26 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 m -63.92 -15.46 59.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.422 HD11 ' CD2' ' A' ' 73' ' ' PHE . 3.9 mm? -77.9 -50.13 12.82 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.881 1.218 . . . . 0.0 109.372 169.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.9 -32.17 70.51 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.768 0.827 . . . . 0.0 111.392 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.51 -72.13 0.14 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 108.471 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -45.68 -45.07 13.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.935 1.294 . . . . 0.0 113.357 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.37 -22.38 4.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.397 1.479 . . . . 0.0 114.074 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 128.039 2.536 . . . . 0.0 110.454 -168.049 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 -90.9 0.3 Allowed Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 163.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.31 -10.85 26.75 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.153 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tp -50.36 -49.38 54.36 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.191 1.359 . . . . 0.0 110.045 163.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.0 66.51 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.99 -39.58 92.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.227 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -72.64 0.47 10.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.835 1.254 . . . . 0.0 113.306 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.46 16.09 14.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.061 0.846 . . . . 0.0 111.689 -171.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.08 -18.46 10.05 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.831 0.852 . . . . 0.0 112.23 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -68.19 -45.25 73.92 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 170.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.97 156.31 26.01 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.041 1.401 . . . . 0.0 110.523 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -126.33 -177.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 126.208 1.803 . . . . 0.0 107.63 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.9 -16.24 16.63 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.974 -165.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.91 -61.1 2.23 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 119.594 1.088 . . . . 0.0 109.655 165.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.39 -31.69 10.81 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.662 0.785 . . . . 0.0 110.501 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.0 -40.94 81.99 Favored 'General case' 0 C--N 1.338 0.085 0 O-C-N 120.82 -1.175 . . . . 0.0 109.23 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -69.76 -51.25 35.69 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.32 -46.07 69.3 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 118.95 0.796 . . . . 0.0 110.932 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CE2' ' HB ' ' A' ' 131' ' ' THR . 31.0 t80 -53.95 -56.05 21.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 119.587 1.085 . . . . 0.0 111.503 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -63.07 -33.71 76.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.395 0.678 . . . . 0.0 112.177 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.66 -61.24 1.86 Allowed 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.114 -1.616 . . . . 0.0 108.682 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.5 mt -57.17 -49.01 77.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.003 2.121 . . . . 0.0 109.913 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 86' ' ' LEU . 5.5 tt -59.74 -50.87 72.16 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.048 1.295 . . . . 0.0 109.907 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.95 69.7 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.387 -0.821 . . . . 0.0 111.799 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -66.5 -47.6 72.46 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.452 1.024 . . . . 0.0 109.866 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -50.57 -57.55 7.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.954 2.102 . . . . 0.0 110.171 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.51 1.124 . . . . 0.0 112.584 -178.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 pttt . . . . . 0 CA--C 1.516 -0.334 0 CA-C-O 121.214 0.53 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.411 0.0 OUTLIER 65.6 -26.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 129.973 3.309 . . . . 0.0 114.152 176.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.41 137.42 32.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 169.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.27 -56.94 14.78 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 124.66 1.124 . . . . 0.0 112.536 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 ptp -60.49 -30.82 69.95 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -29.27 64.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.145 0.884 . . . . 0.0 110.882 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.03 -24.96 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 121.546 -0.721 . . . . 0.0 109.793 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.37 -48.84 71.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.786 1.175 . . . . 0.0 110.112 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.4 m -55.77 -31.18 62.36 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.602 0.761 . . . . 0.0 111.742 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -46.63 13.7 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.297 0.953 . . . . 0.0 111.745 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.3 mt -68.44 -44.02 75.8 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.703 1.138 . . . . 0.0 111.398 -171.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.66 -28.33 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 118.701 0.682 . . . . 0.0 109.756 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.76 -12.6 59.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -90.31 -46.21 8.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.523 1.056 . . . . 0.0 110.407 167.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -120.28 -16.73 8.41 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -156.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.52 172.72 3.04 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-O 123.286 1.492 . . . . 0.0 111.063 -164.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -12.91 1.21 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.616 2.366 . . . . 0.0 114.362 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -75.21 -87.99 0.03 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 120.345 1.43 . . . . 0.0 110.136 167.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -67.44 -15.9 63.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.408 -169.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.64 -11.07 14.72 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 121.068 1.758 . . . . 0.0 112.554 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -51.83 2.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 123.359 0.664 . . . . 0.0 110.636 164.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -35.81 62.82 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -169.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.98 -48.89 11.64 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.18 59.37 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.962 1.305 . . . . 0.0 112.347 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.86 -49.18 20.62 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.75 2.02 . . . . 0.0 111.917 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.444 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 0.7 OUTLIER -57.18 -36.0 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.913 -0.492 . . . . 0.0 110.857 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.414 ' HB ' ' CE2' ' A' ' 82' ' ' PHE . 30.7 m -68.26 -21.46 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.22 -0.925 . . . . 0.0 110.411 -168.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -67.12 -35.54 79.99 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.752 -0.593 . . . . 0.0 111.242 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.87 -43.86 97.67 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -48.07 83.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.388 1.475 . . . . 0.0 111.595 177.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.416 ' HB3' HD23 ' A' ' 137' ' ' LEU . 9.3 mtm -76.05 -10.28 59.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.099 0.863 . . . . 0.0 112.995 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.41 88.84 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.345 -1.253 . . . . 0.0 114.72 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 135' ' ' MET . 4.4 mm? -79.01 83.2 5.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.866 1.833 . . . . 0.0 109.682 -170.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -63.33 -48.28 78.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.553 -174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -32.39 72.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.449 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 73' ' ' PHE . 89.3 mt -62.15 -48.56 79.54 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.683 1.583 . . . . 0.0 110.416 173.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -34.49 75.6 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.571 0.349 . . . . 0.0 110.719 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.29 50.81 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.522 1.129 . . . . 0.0 108.916 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -59.93 -25.48 65.2 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.079 1.352 . . . . 0.0 111.928 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.65 60.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.483 1.113 . . . . 0.0 113.551 172.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 CA--C 1.539 0.556 0 CA-C-N 120.591 1.542 . . . . 0.0 112.302 -169.07 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.61 -107.39 2.19 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 171.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.71 -18.5 65.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 117.058 -1.448 . . . . 0.0 112.16 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.45 -44.11 62.28 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 110.626 -169.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.6 -38.37 45.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.576 1.55 . . . . 0.0 113.292 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.61 -43.78 93.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.735 1.214 . . . . 0.0 110.939 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -66.02 -26.31 67.47 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.196 -0.94 . . . . 0.0 110.668 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.7 mt -93.66 8.93 38.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.677 1.991 . . . . 0.0 111.687 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -112.12 -19.69 12.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.137 1.375 . . . . 0.0 111.786 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -53.87 39.64 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -82.37 151.62 26.58 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.539 1.135 . . . . 0.0 109.817 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -119.63 -176.91 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 125.803 1.641 . . . . 0.0 108.376 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -37.05 0.66 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.595 1.558 . . . . 0.0 114.676 -174.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -25.22 -63.63 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.276 2.63 . . . . 0.0 112.149 164.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -120.22 -17.79 8.19 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.568 1.076 . . . . 0.0 111.504 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.83 -20.71 62.21 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.688 -1.258 . . . . 0.0 111.48 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -55.62 5.76 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 117.039 -1.457 . . . . 0.0 111.564 164.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -52.94 -48.04 67.62 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.144 0.884 . . . . 0.0 109.463 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.424 ' CE2' ' HB ' ' A' ' 131' ' ' THR . 52.7 t80 -51.37 -60.54 3.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.134 0.425 . . . . 0.0 112.146 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.49 -26.15 65.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.853 0.751 . . . . 0.0 112.372 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -54.96 4.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.728 1.211 . . . . 0.0 110.047 -177.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.99 -28.56 62.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.37 0.668 . . . . 0.0 109.326 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 127' ' ' LEU . 7.8 tt -69.35 -53.35 19.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.78 95.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.772 0.429 . . . . 0.0 110.626 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.09 -37.11 83.81 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.864 0.302 . . . . 0.0 110.589 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 130' ' ' HIS . 15.3 tppt? -68.92 -46.0 69.42 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.952 1.301 . . . . 0.0 109.894 175.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 123.704 0.802 . . . . 0.0 113.113 -176.032 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -145.29 17.98 1.54 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -175.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.7 m -116.74 139.35 50.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.068 -1.645 . . . . 0.0 110.899 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -44.71 -54.24 6.77 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 126.829 2.157 . . . . 0.0 113.942 -166.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.4 ptm -65.16 -27.69 68.89 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.684 0.742 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.9 -28.4 22.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.437 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.7 t -68.05 -36.53 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 120.342 1.428 . . . . 0.0 107.203 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.91 40.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 112.719 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -61.79 -24.89 67.14 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.394 -0.816 . . . . 0.0 112.335 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -77.81 -37.47 48.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.852 1.261 . . . . 0.0 110.662 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.12 -39.94 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 119.942 -1.724 . . . . 0.0 111.049 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.27 -26.37 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 121.891 -0.505 . . . . 0.0 110.221 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.94 68.82 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.303 -0.873 . . . . 0.0 110.309 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.1 -46.56 90.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.634 0.774 . . . . 0.0 110.764 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -123.45 -64.0 1.19 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.06 173.15 14.31 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 -160.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -50.59 15.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.325 1.85 . . . . 0.0 111.436 -167.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.25 -72.24 0.08 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.483 1.113 . . . . 0.0 111.344 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -71.53 -22.43 61.77 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.122 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.71 -17.5 63.07 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.106 1.321 . . . . 0.0 111.025 172.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -111.76 -50.6 2.91 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 119.428 1.013 . . . . 0.0 112.669 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -50.68 -47.68 58.77 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.752 1.615 . . . . 0.0 111.903 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 86' ' ' LEU . 1.4 tt -70.7 -33.91 71.38 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -175.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.53 -46.19 76.97 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 118.696 -0.669 . . . . 0.0 111.015 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -48.27 70.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 124.614 1.166 . . . . 0.0 110.334 175.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.419 ' NE2' ' HE3' ' A' ' 89' ' ' LYS . 36.0 t60 -53.32 -51.73 61.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.846 0.748 . . . . 0.0 110.543 171.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.424 ' HB ' ' CE2' ' A' ' 82' ' ' PHE . 28.8 m -65.28 -26.46 68.09 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.537 -0.727 . . . . 0.0 110.932 -169.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -66.65 -33.63 76.08 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.098 -1.001 . . . . 0.0 111.246 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -19.06 65.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 124.353 1.061 . . . . 0.0 111.32 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.22 -17.69 51.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.692 1.197 . . . . 0.0 111.597 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 31.9 mtp -111.66 -11.08 14.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.396 1.079 . . . . 0.0 112.163 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.85 28.04 57.5 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.653 -1.082 . . . . 0.0 113.208 176.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.07 81.68 5.59 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.255 2.027 . . . . 0.0 109.898 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -54.44 -45.27 73.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 117.531 -1.223 . . . . 0.0 112.587 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.6 p -62.53 -27.89 69.47 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.965 1.257 . . . . 0.0 111.79 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 37.5 mt -68.56 -55.35 11.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.732 0.696 . . . . 0.0 109.348 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.74 -44.74 81.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.172 0.442 . . . . 0.0 111.606 176.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.5 -61.0 2.74 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.1 1.36 . . . . 0.0 109.32 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -56.07 -38.19 70.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 120.091 1.314 . . . . 0.0 111.155 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.98 5.93 0.59 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.527 1.131 . . . . 0.0 114.026 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 . . . . . 0 N--CA 1.469 0.509 0 C-N-CA 126.477 1.911 . . . . 0.0 112.243 176.08 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.78 -94.92 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -59.98 -22.15 62.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.716 0.807 . . . . 0.0 112.162 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -43.74 -49.63 7.9 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 125.496 1.518 . . . . 0.0 110.361 172.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.81 -28.97 67.91 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 117.357 -1.306 . . . . 0.0 111.485 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.3 t -58.88 -57.06 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 121.364 1.893 . . . . 0.0 109.989 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -60.92 -15.79 34.97 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.25 1.02 . . . . 0.0 111.983 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.94 1.57 22.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.503 2.321 . . . . 0.0 111.613 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -107.6 -17.56 14.07 Favored 'General case' 0 C--O 1.23 0.079 0 C-N-CA 126.058 1.743 . . . . 0.0 110.391 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -70.97 -32.44 69.29 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.474 1.034 . . . . 0.0 111.567 179.322 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -102.74 160.39 14.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.588 1.555 . . . . 0.0 111.244 -175.204 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -124.14 -170.6 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -30.63 39.67 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.864 -166.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -27.2 -54.39 0.08 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.941 2.496 . . . . 0.0 111.499 167.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.401 ' CB ' HD12 ' A' ' 74' ' ' LEU . 35.8 mm-40 -123.46 -31.17 3.55 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.267 1.427 . . . . 0.0 109.853 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.91 -36.54 77.21 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 119.67 -1.894 . . . . 0.0 112.376 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -64.01 -47.17 81.33 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.011 175.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.71 -48.38 81.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.601 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -47.23 -60.61 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.411 1.084 . . . . 0.0 110.659 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.76 -20.57 65.24 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -51.73 4.95 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.362 1.065 . . . . 0.0 111.071 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.45 -27.62 62.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.215 1.406 . . . . 0.0 109.376 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.22 -55.08 15.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.264 1.426 . . . . 0.0 109.943 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.01 64.25 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.016 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -79.61 -42.66 24.46 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.336 1.054 . . . . 0.0 110.685 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -48.67 67.59 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 125.185 1.394 . . . . 0.0 110.194 175.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 123.654 0.781 . . . . 0.0 109.058 167.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.514 -0.408 0 CA-C-O 120.643 0.258 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.284 0.7 OUTLIER -144.3 -53.34 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 160.636 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -129.88 154.92 46.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.84 0.712 . . . . 0.0 109.297 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.52 88.29 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.563 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.4 ptp -60.42 -36.44 78.18 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.908 1.354 . . . . 0.0 112.33 175.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.85 -39.25 18.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.328 1.051 . . . . 0.0 109.949 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -28.15 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 167.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.52 67.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.95 0.795 . . . . 0.0 111.801 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -42.34 69.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.849 0.86 . . . . 0.0 110.832 174.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -38.25 87.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -89.41 -35.21 16.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.802 -0.618 . . . . 0.0 112.404 -170.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.81 -26.36 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.187 0.903 . . . . 0.0 109.214 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.56 74.01 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.285 0.948 . . . . 0.0 111.471 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -60.66 -48.26 82.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.671 0.788 . . . . 0.0 111.442 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -113.36 -73.28 0.67 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.988 0.915 . . . . 0.0 110.777 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.89 7.85 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 106.559 -2.617 . . . . 0.0 106.559 -160.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -16.02 59.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.689 1.744 . . . . 0.0 113.952 -165.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -54.99 -83.84 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.566 1.546 . . . . 0.0 109.066 166.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -22.55 60.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 121.458 -0.777 . . . . 0.0 111.872 -173.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -18.44 65.32 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.518 1.054 . . . . 0.0 111.152 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.405 ' HE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -106.19 -59.09 1.83 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 116.978 -1.486 . . . . 0.0 110.288 171.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -44.53 -45.3 9.25 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.098 1.772 . . . . 0.0 113.81 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.15 -35.68 59.1 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.047 1.403 . . . . 0.0 109.466 -173.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.18 -26.47 56.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.722 2.009 . . . . 0.0 112.214 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.44 -62.37 1.91 Allowed 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -46.5 -41.94 14.87 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 124.208 0.943 . . . . 0.0 111.069 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.5 m -56.65 -14.38 3.2 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.714 1.206 . . . . 0.0 113.457 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.401 ' CD1' ' C ' ' A' ' 132' ' ' TRP . 0.5 OUTLIER -52.25 -35.0 48.65 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.806 1.185 . . . . 0.0 111.297 170.216 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -31.87 73.15 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 126.013 1.725 . . . . 0.0 110.095 -170.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -78.95 -32.9 45.65 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.382 1.073 . . . . 0.0 111.544 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.415 ' HE2' HD11 ' A' ' 137' ' ' LEU . 83.4 mtp -85.88 -32.78 21.48 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.759 -1.213 . . . . 0.0 112.902 -178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.63 -21.67 36.07 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.86 1.695 . . . . 0.0 113.523 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.415 HD11 ' HE2' ' A' ' 135' ' ' MET 0.575 0.0 OUTLIER -79.13 63.75 3.86 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.188 1.494 . . . . 0.0 114.534 -178.82 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.14 -58.44 7.65 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.528 -1.225 . . . . 0.0 112.017 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -41.33 62.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.61 1.164 . . . . 0.0 111.159 -170.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.652 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -41.24 -61.84 0.95 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 128.284 2.634 . . . . 0.0 111.801 174.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 95.2 m -91.23 -39.06 12.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 112.375 -2.193 . . . . 0.0 107.397 -163.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.77 -55.29 6.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.008 0.923 . . . . 0.0 108.802 167.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -54.83 -19.85 7.4 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.405 ' HB1' ' HE1' ' A' ' 125' ' ' TRP . . . -67.22 -12.83 61.1 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.581 -1.324 . . . . 0.0 113.447 172.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 127.101 2.161 . . . . 0.0 111.482 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.87 -94.13 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 174.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -47.56 -30.21 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 127.104 2.162 . . . . 0.0 114.596 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.76 -28.48 56.2 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.838 0.855 . . . . 0.0 111.57 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.97 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.568 -0.73 . . . . 0.0 111.001 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 91.7 m -60.6 -38.05 83.4 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.687 0.676 . . . . 0.0 110.569 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.16 -48.07 77.43 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -78.74 15.49 1.04 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.955 1.302 . . . . 0.0 113.399 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.32 -15.78 9.7 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.877 1.271 . . . . 0.0 110.914 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CE1' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -60.4 -50.25 74.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.986 -1.071 . . . . 0.0 108.803 174.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.96 166.06 20.18 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 127.988 2.515 . . . . 0.0 109.945 170.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -132.54 -163.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 126.309 1.843 . . . . 0.0 106.17 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -62.56 -2.34 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.59 -48.05 39.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.488 1.04 . . . . 0.0 110.567 157.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.68 -16.32 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.766 1.166 . . . . 0.0 112.155 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.6 tp -49.17 -43.51 42.07 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.665 1.575 . . . . 0.0 110.734 169.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -61.8 -54.57 40.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.998 1.319 . . . . 0.0 108.66 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.41 -48.81 71.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.918 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.75 -48.39 81.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.28 0.945 . . . . 0.0 110.386 -177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.9 -37.51 79.6 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.023 -1.048 . . . . 0.0 111.348 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.418 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -83.68 -47.06 11.61 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.857 0.863 . . . . 0.0 112.508 -172.129 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.56 -26.54 68.63 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 116.636 -1.65 . . . . 0.0 108.116 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 86' ' ' LEU . 5.3 tt -72.67 -50.78 22.71 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.21 1.368 . . . . 0.0 108.051 175.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.33 64.02 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.564 0.62 . . . . 0.0 110.958 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -71.43 -46.75 59.3 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.53 -0.731 . . . . 0.0 111.133 172.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -52.31 20.91 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.386 1.474 . . . . 0.0 110.308 176.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 128.949 2.9 . . . . 0.0 111.472 -175.093 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.7 mptt . . . . . 0 N--CA 1.462 0.155 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 t -147.26 29.08 0.97 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.007 0.432 . . . . 0.0 111.858 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -116.82 139.26 50.8 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 161.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.63 -46.1 38.29 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 119.082 0.856 . . . . 0.0 111.926 172.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.21 -38.35 79.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.04 0.92 . . . . 0.0 112.965 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -87.34 -27.1 23.03 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.388 -0.82 . . . . 0.0 110.938 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.06 -45.19 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 163.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.47 -47.72 81.12 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.976 1.262 . . . . 0.0 112.062 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -36.12 71.33 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.071 0.548 . . . . 0.0 112.04 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.58 73.1 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 123.821 0.849 . . . . 0.0 108.796 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 tp -72.01 -39.31 69.3 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.918 -169.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.11 -43.24 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.167 0.894 . . . . 0.0 109.692 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.83 81.71 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.298 0.953 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -67.15 -60.23 2.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.323 1.449 . . . . 0.0 111.245 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -112.47 -13.57 13.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -159.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.02 157.12 4.79 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.615 1.102 . . . . 0.0 110.929 -169.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -15.01 16.02 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.573 1.949 . . . . 0.0 115.094 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -65.49 -83.47 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.293 1.037 . . . . 0.0 108.405 165.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -65.69 -22.88 66.66 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.412 -0.805 . . . . 0.0 111.648 -172.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.75 -5.82 6.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.221 0.919 . . . . 0.0 113.249 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.66 -47.93 2.3 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.074 0.852 . . . . 0.0 109.904 154.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -34.81 40.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -171.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.35 -39.29 12.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.938 1.695 . . . . 0.0 109.881 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -40.79 63.23 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.705 -0.622 . . . . 0.0 111.411 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -47.29 85.8 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.975 174.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 15.3 t60 -51.7 -43.78 62.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.888 1.676 . . . . 0.0 110.603 174.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.7 m -62.62 -22.2 66.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.87 0.868 . . . . 0.0 111.704 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.523 ' CD2' ' HB2' ' A' ' 141' ' ' CYS . 0.0 OUTLIER -58.19 -45.12 88.13 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 176.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.79 72.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.204 1.002 . . . . 0.0 109.78 -166.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.01 -48.26 80.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.732 2.013 . . . . 0.0 110.734 174.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 9.7 mtm -83.18 -31.09 27.3 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.428 1.013 . . . . 0.0 112.443 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.83 18.09 52.18 Favored Glycine 0 CA--C 1.532 1.149 0 O-C-N 121.39 -0.819 . . . . 0.0 114.587 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.539 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.0 mm? -79.87 81.44 6.13 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.202 1.501 . . . . 0.0 109.772 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -45.62 -49.53 14.15 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.411 1.084 . . . . 0.0 112.147 -174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.3 m -59.55 -25.05 64.22 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 137' ' ' LEU . 3.0 mm? -72.38 -47.27 50.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 119.927 1.239 . . . . 0.0 109.226 -176.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 132' ' ' TRP . 22.5 t -69.25 -41.23 77.2 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.074 0.549 . . . . 0.0 111.168 175.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.08 -61.87 2.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.694 0.797 . . . . 0.0 109.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -60.29 -23.56 64.26 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 119.864 1.211 . . . . 0.0 112.663 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.32 -10.07 57.92 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.711 1.596 . . . . 0.0 112.088 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 125.116 1.366 . . . . 0.0 110.986 -167.115 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.44 -0.954 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.0 -103.14 0.25 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -75.77 -12.68 60.23 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.832 1.253 . . . . 0.0 113.715 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.401 HD13 ' CZ3' ' A' ' 125' ' ' TRP . 19.6 tp -45.45 -48.7 13.82 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.074 1.75 . . . . 0.0 111.106 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.45 54.23 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.538 1.063 . . . . 0.0 113.269 -177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -38.3 73.79 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.413 1.006 . . . . 0.0 110.032 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -68.36 -8.74 42.73 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.059 0.944 . . . . 0.0 111.869 171.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.9 mt -120.85 9.39 10.66 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 119.924 1.238 . . . . 0.0 112.067 -173.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -7.87 10.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.503 1.047 . . . . 0.0 113.104 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CZ ' HD21 ' A' ' 140' ' ' LEU . 17.4 p90 -61.08 -24.07 65.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.949 0.5 . . . . 0.0 111.48 171.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.502 HD23 ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -113.26 167.99 10.1 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 128.958 2.903 . . . . 0.0 109.796 176.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -130.32 179.5 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.346 1.858 . . . . 0.0 107.238 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -38.47 0.99 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.269 1.428 . . . . 0.0 114.37 -169.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -25.73 -68.79 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.068 2.547 . . . . 0.0 112.311 164.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -106.85 -26.62 11.16 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.899 1.68 . . . . 0.0 109.017 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.412 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.0 tm? -60.9 -37.82 83.54 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.606 1.548 . . . . 0.0 112.181 177.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.48 -34.63 25.32 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.559 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.25 -46.48 72.63 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.958 1.253 . . . . 0.0 109.166 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -69.1 -15.56 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 119.934 -1.729 . . . . 0.0 114.149 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -84.86 -48.58 9.2 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.961 1.71 . . . . 0.0 109.353 162.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -43.69 81.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.439 -0.788 . . . . 0.0 111.462 -166.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 134' ' ' GLN . 73.0 mt -70.82 -21.37 62.47 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.577 1.551 . . . . 0.0 109.552 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.07 31.36 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 171.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.78 -16.45 63.81 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.281 0.632 . . . . 0.0 112.395 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -75.4 -46.65 31.58 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.252 1.021 . . . . 0.0 109.914 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -66.18 -36.57 83.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.138 -0.976 . . . . 0.0 109.809 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.503 0 C-N-CA 124.338 1.055 . . . . 0.0 109.594 -178.494 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.1 t -138.54 -2.82 1.74 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.452 1.501 . . . . 0.0 111.559 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.13 151.57 45.57 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 120.387 -1.446 . . . . 0.0 111.859 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.65 -42.46 97.27 Favored Glycine 0 C--O 1.226 -0.382 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 ptp -58.29 -21.16 47.92 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.35 -27.47 9.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.037 1.335 . . . . 0.0 110.879 -172.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.51 -39.14 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 162.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.05 -57.97 9.55 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.242 1.017 . . . . 0.0 112.279 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.8 p -64.54 -20.81 66.45 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -46.19 42.61 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.871 1.268 . . . . 0.0 109.221 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.38 -43.25 81.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.347 -0.846 . . . . 0.0 110.855 -171.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.6 t -66.35 -12.49 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.825 0.85 . . . . 0.0 110.815 174.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -103.45 -2.4 26.95 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.246 1.418 . . . . 0.0 112.503 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -107.63 -34.04 7.12 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.201 1.4 . . . . 0.0 110.337 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.403 ' CG ' ' HB2' ' A' ' 123' ' ' ARG . 90.0 m-85 -123.83 -26.22 4.14 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -176.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.02 177.14 7.22 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-O 123.011 1.34 . . . . 0.0 110.124 -153.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.91 -19.82 65.38 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -161.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -61.08 -78.5 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.223 1.374 . . . . 0.0 110.125 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HB2' ' CG ' ' A' ' 119' ' ' TYR . 16.6 mmm180 -65.68 -28.51 69.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.932 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.13 -13.76 40.63 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.453 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.401 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 1.5 t-105 -113.83 -50.22 2.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 120.1 1.318 . . . . 0.0 110.997 164.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -48.04 -46.29 33.1 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.787 1.63 . . . . 0.0 112.324 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tt -76.3 -36.3 58.41 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.64 -1.287 . . . . 0.0 108.719 -177.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.21 99.38 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.261 -0.899 . . . . 0.0 110.433 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.9 -51.74 67.91 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.553 1.541 . . . . 0.0 108.696 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -54.94 -41.91 71.63 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.317 0.962 . . . . 0.0 112.003 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.2 m -62.84 -22.5 66.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.593 1.088 . . . . 0.0 111.06 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.4 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.65 -0.656 . . . . 0.0 110.429 173.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.7 -30.29 67.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.124 0.57 . . . . 0.0 110.323 -167.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.467 ' CG ' HD13 ' A' ' 85' ' ' LEU . 36.6 tp60 -69.24 -63.01 1.15 Allowed 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 127.234 2.214 . . . . 0.0 110.192 167.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.2 mtm -67.52 -23.16 65.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.41 8.19 64.48 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 120.027 1.285 . . . . 0.0 115.288 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.7 82.42 4.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.952 1.876 . . . . 0.0 111.329 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -41.9 96.05 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 120.939 -1.1 . . . . 0.0 111.896 -172.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -47.24 15.36 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.961 1.304 . . . . 0.0 110.616 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.547 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 4.6 mm? -67.43 -55.88 11.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.585 1.154 . . . . 0.0 109.796 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 10.3 t -60.51 -38.34 84.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.71 -67.73 0.33 Allowed 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 124.2 0.938 . . . . 0.0 108.616 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -59.02 -31.37 68.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.048 0.939 . . . . 0.0 112.282 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.84 -8.22 10.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.059 2.143 . . . . 0.0 114.226 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 125.361 1.464 . . . . 0.0 107.971 -174.477 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.7 p-90 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.04 -90.78 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -51.74 -34.07 37.55 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.544 1.172 . . . . 0.0 113.379 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.6 pp -52.13 -28.48 18.07 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.61 -15.64 61.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.508 1.049 . . . . 0.0 112.537 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.9 m -76.4 -40.13 51.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.307 0.958 . . . . 0.0 111.054 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -56.93 -35.28 68.87 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 mp -80.66 13.18 2.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.989 2.116 . . . . 0.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -138.14 -4.17 1.73 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.064 2.146 . . . . 0.0 110.399 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -45.94 85.73 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.371 -1.456 . . . . 0.0 108.182 164.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.16 164.38 12.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.328 2.251 . . . . 0.0 109.462 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -125.72 -170.99 2.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.23 1.812 . . . . 0.0 107.278 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HD3' HD23 ' A' ' 79' ' ' LEU . 53.6 mmtt -60.29 -12.05 8.02 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -38.15 -72.91 0.05 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.978 1.711 . . . . 0.0 110.532 156.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -112.82 -17.98 12.39 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.969 1.258 . . . . 0.0 109.914 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.45 HD23 ' HD3' ' A' ' 76' ' ' LYS . 31.0 tp -55.88 -44.02 77.74 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 120.42 1.464 . . . . 0.0 110.937 175.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -47.87 68.8 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.515 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.39 -55.03 20.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 120.644 1.566 . . . . 0.0 110.003 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CD2' ' CZ3' ' A' ' 132' ' ' TRP . 31.0 t80 -45.5 -58.3 3.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.433 0.693 . . . . 0.0 110.682 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.25 -26.67 62.1 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.111 -0.993 . . . . 0.0 111.761 -172.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.74 -59.32 4.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.493 1.517 . . . . 0.0 108.445 173.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.64 -43.15 84.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.261 1.824 . . . . 0.0 110.681 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.41 -43.62 88.69 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.152 0.887 . . . . 0.0 110.024 178.08 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.44 67.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 120.951 -1.093 . . . . 0.0 110.818 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -53.94 -52.23 61.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.373 1.469 . . . . 0.0 108.949 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -56.31 -47.67 78.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.033 1.733 . . . . 0.0 110.823 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -175.353 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.337 0 CA-C-O 124.171 1.938 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.49 7.41 0.58 Allowed 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.484 -163.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.2 m -130.76 161.94 30.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 163.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.17 -44.77 96.63 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 168.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 ptp -62.3 -23.58 66.81 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.532 1.933 . . . . 0.0 113.011 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -77.34 -51.74 10.35 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.424 1.011 . . . . 0.0 109.605 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.41 -35.68 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.99 -62.02 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.505 1.122 . . . . 0.0 113.413 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -30.69 68.86 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.019 0.437 . . . . 0.0 111.352 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -36.33 68.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.078 0.466 . . . . 0.0 110.534 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.6 mt -70.04 -43.21 71.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.186 -0.946 . . . . 0.0 110.105 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 21.3 t -60.98 -43.47 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.34 83.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.731 1.15 . . . . 0.0 111.887 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -72.07 -43.58 64.65 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.061 0.945 . . . . 0.0 113.027 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -126.95 -44.23 1.64 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.149 -0.929 . . . . 0.0 113.327 -169.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 126.45 -117.47 2.82 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.385 1.469 . . . . 0.0 113.811 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -120.38 -20.98 7.04 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.71 -2.053 . . . . 0.0 113.566 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -79.36 -89.6 0.05 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 170.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -65.08 -8.0 14.62 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.06 70.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 116.874 -1.536 . . . . 0.0 111.188 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.584 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 38.3 t-105 -103.23 -45.58 4.86 Favored 'General case' 0 C--O 1.207 -1.179 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -176.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.94 -37.46 69.01 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 119.652 -1.905 . . . . 0.0 113.246 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 tt -76.61 -36.97 57.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 125' ' ' TRP . . . -50.48 -61.9 1.91 Allowed 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 125.255 1.422 . . . . 0.0 109.19 171.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -24.95 45.49 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.018 1.327 . . . . 0.0 111.581 -160.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -50.93 -38.53 50.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.555 0.742 . . . . 0.0 110.41 163.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.7 m -61.26 -20.87 63.35 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.321 -1.487 . . . . 0.0 112.004 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.436 ' CZ3' ' CD2' ' A' ' 82' ' ' PHE . 7.4 m95 -66.77 -33.29 75.29 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.137 -0.977 . . . . 0.0 111.289 174.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -44.44 96.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.979 0.912 . . . . 0.0 108.719 172.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.76 -42.54 60.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 116.347 -1.787 . . . . 0.0 114.174 -177.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.3 mtm -60.48 -61.44 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 121.442 1.928 . . . . 0.0 109.484 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 149.27 5.77 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.127 -0.818 . . . . 0.0 114.082 -174.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.533 HD23 HD12 ' A' ' 140' ' ' LEU 0.611 0.0 OUTLIER -124.69 56.78 1.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.773 2.029 . . . . 0.0 115.498 -170.199 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -11.42 4.67 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.9 t -47.19 -46.51 23.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.398 1.453 . . . . 0.0 109.855 164.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 137' ' ' LEU . 54.8 mt -66.87 -41.19 87.71 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.278 1.031 . . . . 0.0 110.158 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 13.6 t -58.08 -49.51 76.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.228 1.011 . . . . 0.0 110.144 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.63 -55.74 27.39 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.137 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.68 -12.2 32.18 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.951 1.251 . . . . 0.0 113.264 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.32 -2.04 56.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.331 1.423 . . . . 0.0 113.049 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 CA--C 1.534 0.353 0 C-N-CA 125.439 1.496 . . . . 0.0 110.485 -178.657 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.1 m0 . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.13 -77.67 2.05 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 158.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -53.88 -31.66 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.375 1.088 . . . . 0.0 111.404 171.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.72 -62.42 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.298 1.039 . . . . 0.0 108.6 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.15 -20.85 65.77 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.147 -1.406 . . . . 0.0 113.748 -170.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.22 -42.74 52.15 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 121.089 1.768 . . . . 0.0 111.513 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -72.26 -32.59 66.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.95 0.9 . . . . 0.0 109.981 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.62 -6.53 54.5 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.539 1.136 . . . . 0.0 111.575 -173.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -90.6 -28.36 18.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 110.424 -173.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.67 55.46 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -174.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.96 165.0 23.05 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.506 1.522 . . . . 0.0 110.333 -177.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -134.06 -170.86 2.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.84 1.256 . . . . 0.0 108.627 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -6.15 10.4 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.908 -1.12 . . . . 0.0 114.02 -165.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.82 -76.33 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.026 0.93 . . . . 0.0 109.307 154.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -102.95 -24.88 13.63 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 121.124 -0.985 . . . . 0.0 110.763 -161.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -38.02 74.4 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 110.054 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -84.71 -37.87 20.41 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 116.371 -1.776 . . . . 0.0 110.534 -175.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.76 -57.38 11.74 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -46.47 -57.13 4.98 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.148 0.886 . . . . 0.0 111.641 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -39.92 69.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.551 1.069 . . . . 0.0 112.461 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -54.19 6.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.19 0.996 . . . . 0.0 110.057 -174.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.7 -16.24 37.46 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.944 1.298 . . . . 0.0 111.816 175.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 tt -80.64 -55.59 4.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 119.789 1.177 . . . . 0.0 108.39 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.38 -23.87 64.66 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.809 0.444 . . . . 0.0 111.511 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -52.53 -48.11 66.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.33 1.452 . . . . 0.0 110.489 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.345 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.428 1.491 . . . . 0.0 112.224 -149.607 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 C--O 1.239 0.55 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.5 t -135.66 2.25 2.9 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.668 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.7 m -99.99 153.57 19.09 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.471 1.032 . . . . 0.0 110.45 164.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.85 -28.5 70.29 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.449 -0.782 . . . . 0.0 113.014 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -36.19 82.98 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.826 -0.808 . . . . 0.0 110.293 175.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -82.85 -45.91 13.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.058 0.943 . . . . 0.0 110.89 -172.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 24.2 m -60.27 -28.88 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 123.752 0.821 . . . . 0.0 111.385 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.85 -48.59 30.91 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.362 0.665 . . . . 0.0 111.554 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.2 p -62.08 -33.34 74.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.665 0.666 . . . . 0.0 112.176 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -42.11 70.88 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.324 1.05 . . . . 0.0 109.072 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.0 -52.61 16.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.795 1.638 . . . . 0.0 111.108 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.96 -28.06 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 119.419 1.009 . . . . 0.0 109.865 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.47 64.96 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 120.766 -1.209 . . . . 0.0 112.05 171.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -61.59 -39.77 92.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.868 0.867 . . . . 0.0 110.175 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -127.72 -80.35 0.59 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.61 0.764 . . . . 0.0 110.473 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.12 11.53 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -158.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -55.15 -23.46 21.4 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.61 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.286 1.434 . . . . 0.0 110.0 168.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -27.53 62.33 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 120.668 -1.27 . . . . 0.0 112.831 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.84 13.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.772 0.715 . . . . 0.0 111.783 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -118.19 -51.31 2.43 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 119.395 0.998 . . . . 0.0 111.411 169.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -45.86 -45.0 14.81 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.609 1.564 . . . . 0.0 114.066 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -41.04 16.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.469 1.128 . . . . 0.0 108.38 -172.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.83 -41.42 64.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.121 1.368 . . . . 0.0 112.549 168.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.09 -52.91 63.4 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 125.69 1.596 . . . . 0.0 109.983 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.305 0.642 . . . . 0.0 110.468 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.9 m -65.24 -13.58 58.68 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.072 -1.017 . . . . 0.0 111.756 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -72.1 -28.83 63.54 Favored 'General case' 0 C--O 1.225 -0.198 0 O-C-N 120.7 -1.25 . . . . 0.0 111.754 172.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -58.92 -45.18 90.97 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.292 1.437 . . . . 0.0 110.029 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -49.48 -56.95 7.99 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.717 1.607 . . . . 0.0 110.531 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 36.4 mtp -81.01 -13.79 58.52 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.059 0.544 . . . . 0.0 112.324 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.01 69.1 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.149 -1.362 . . . . 0.0 113.102 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.44 77.33 6.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.155 1.977 . . . . 0.0 109.469 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -55.53 -46.83 77.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.588 1.155 . . . . 0.0 109.628 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.4 m -57.87 -40.61 80.62 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 118.188 -0.91 . . . . 0.0 113.182 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.67 -41.69 68.38 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.384 1.447 . . . . 0.0 109.401 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -44.22 97.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 110.488 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.23 -66.31 0.56 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.4 1.88 . . . . 0.0 110.459 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -49.65 -39.67 37.01 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 126.729 2.012 . . . . 0.0 111.407 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.64 42.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.22 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 127.382 2.273 . . . . 0.0 112.047 -167.046 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.2 -94.93 0.15 Allowed Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.186 -2.366 . . . . 0.0 107.186 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -57.01 -25.08 57.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.83 -42.74 47.98 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.077 1.351 . . . . 0.0 110.681 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.18 67.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.473 0.709 . . . . 0.0 112.243 -173.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -66.49 -36.81 83.65 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.15 0.98 . . . . 0.0 111.36 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -66.34 -21.38 66.25 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.926 -1.109 . . . . 0.0 110.696 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.8 mt -107.89 32.28 4.86 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.367 1.867 . . . . 0.0 109.193 -175.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.35 -26.82 1.83 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.229 1.411 . . . . 0.0 110.433 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -67.27 -50.97 58.38 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.424 0.557 . . . . 0.0 109.798 -175.624 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 161.59 30.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.927 0.891 . . . . 0.0 108.645 169.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -123.25 -176.61 3.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.15 -41.71 0.27 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.419 1.887 . . . . 0.0 114.483 -175.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -41.67 -55.82 2.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 128.719 2.807 . . . . 0.0 110.415 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -113.14 -22.45 10.51 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 123.605 0.762 . . . . 0.0 109.661 -172.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.3 tp -54.75 -39.14 68.01 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 121.134 -0.979 . . . . 0.0 111.115 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -39.57 54.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.034 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.805 ' HA ' HD13 ' A' ' 85' ' ' LEU . 34.1 mt-10 -62.07 0.85 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.434 1.094 . . . . 0.0 112.589 164.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -103.77 -74.62 0.64 Allowed 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 121.362 -0.836 . . . . 0.0 110.408 157.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.95 -35.76 47.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.953 1.701 . . . . 0.0 113.178 -169.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.432 ' HG ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -87.32 -48.44 7.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.75 0.704 . . . . 0.0 109.509 -175.195 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.805 HD13 ' HA ' ' A' ' 81' ' ' GLU . 8.9 mp -56.96 -22.5 38.57 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.785 2.034 . . . . 0.0 111.204 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -44.85 83.94 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.95 67.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.346 -0.846 . . . . 0.0 110.97 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -63.69 -44.35 93.93 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -72.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 169.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 125.795 1.638 . . . . 0.0 110.88 -167.541 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.724 0.773 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -139.66 0.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.811 2.044 . . . . 0.0 111.999 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -111.85 133.92 53.75 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.421 0.629 . . . . 0.0 109.433 -174.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.81 85.46 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 123.897 0.761 . . . . 0.0 112.78 -167.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -43.16 74.86 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 117.864 0.832 . . . . 0.0 111.4 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.7 -27.23 27.17 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 121.407 -0.808 . . . . 0.0 112.3 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.03 -41.29 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 165.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.32 90.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.137 0.881 . . . . 0.0 112.111 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 p -58.59 -35.77 72.95 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.96 0.8 . . . . 0.0 112.048 174.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -42.36 82.29 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 115' ' ' LEU . 9.4 tp -69.79 -43.11 72.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 120.894 -1.129 . . . . 0.0 111.982 -171.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.7 -27.13 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 118.2 0.455 . . . . 0.0 110.149 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.0 -35.02 66.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.282 0.947 . . . . 0.0 111.539 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -69.73 -59.7 2.78 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.234 1.014 . . . . 0.0 109.454 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 97.1 m-85 -108.57 -26.52 10.36 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -162.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.36 166.17 25.88 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -156.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -49.45 -53.14 24.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.697 1.199 . . . . 0.0 112.369 -167.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -50.4 -77.53 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.971 1.308 . . . . 0.0 111.133 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.412 ' HB3' ' CD1' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -69.42 -12.18 61.44 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 116.982 -1.485 . . . . 0.0 112.013 -176.305 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.84 -65.12 0.73 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.744 1.611 . . . . 0.0 107.322 167.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -76.13 -44.44 38.38 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.582 -0.699 . . . . 0.0 112.138 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -29.19 69.28 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.16 -1.587 . . . . 0.0 113.394 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 tt -81.98 -42.84 18.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.453 1.501 . . . . 0.0 109.36 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.13 69.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.911 1.284 . . . . 0.0 110.505 172.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.4 -56.19 10.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 120.236 1.38 . . . . 0.0 111.658 174.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -54.12 -42.95 70.03 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.462 0.705 . . . . 0.0 110.13 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.8 m -57.71 -31.16 66.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.413 0.685 . . . . 0.0 110.868 -172.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -74.68 -28.59 60.89 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.369 -0.832 . . . . 0.0 113.191 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -64.91 -40.97 95.9 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.04 0.836 . . . . 0.0 109.161 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -55.8 -44.92 78.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.082 1.753 . . . . 0.0 110.711 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.0 mtp -74.98 -15.45 60.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.84 6.47 69.79 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.887 1.232 . . . . 0.0 114.209 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.507 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.2 mm? -79.48 124.99 28.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 120.216 2.008 . . . . 0.0 108.318 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -107.05 -24.69 11.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 42.8 t -57.67 -35.19 70.23 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.216 0.916 . . . . 0.0 110.252 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 137' ' ' LEU . 3.8 mm? -73.41 -61.3 1.88 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.282 1.033 . . . . 0.0 110.677 -165.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.38 -37.57 72.86 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.041 0.837 . . . . 0.0 111.482 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.86 -72.78 0.07 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.87 -11.3 58.36 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.413 -1.429 . . . . 0.0 113.258 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.82 -45.57 50.49 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 120.914 -1.116 . . . . 0.0 111.793 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.344 0.347 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -162.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.9 p-90 . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.02 -79.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -174.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -54.85 -51.26 66.46 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.023 0.911 . . . . 0.0 111.956 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.8 pp -50.58 -33.14 20.85 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.882 1.673 . . . . 0.0 113.054 175.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . . . -69.78 -22.06 63.37 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.369 0.986 . . . . 0.0 111.766 -172.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -64.69 -49.84 69.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.411 1.005 . . . . 0.0 110.027 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -54.67 -33.78 61.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.005 0.522 . . . . 0.0 109.788 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 68' ' ' ALA . 9.3 mp -83.4 0.45 46.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.72 1.608 . . . . 0.0 113.872 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 -5.67 11.07 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 120.57 1.532 . . . . 0.0 112.153 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.754 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -58.18 -56.16 25.7 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 166.026 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.11 161.86 27.09 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 110.045 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -125.0 177.22 6.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.87 1.668 . . . . 0.0 108.069 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.07 -10.84 15.96 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -164.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -44.58 -63.7 0.84 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.048 1.294 . . . . 0.0 110.122 157.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.69 -31.26 8.98 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -167.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.08 -39.62 66.47 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.139 -0.976 . . . . 0.0 110.233 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.509 ' HE3' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -61.74 -57.12 13.14 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.657 1.183 . . . . 0.0 111.351 172.318 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -53.38 -42.93 67.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.861 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -55.57 -51.44 67.09 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 119.386 0.994 . . . . 0.0 112.193 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.2 -46.4 88.52 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.099 0.863 . . . . 0.0 110.168 176.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.509 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 5.9 tt -64.0 -54.59 31.92 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 125.65 1.58 . . . . 0.0 110.513 -170.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.57 -48.06 82.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.301 2.24 . . . . 0.0 109.56 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.61 -48.7 80.63 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 125.086 1.354 . . . . 0.0 109.53 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.2 -13.5 60.38 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.051 0.941 . . . . 0.0 113.171 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.45 -45.74 11.56 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 119.365 0.984 . . . . 0.0 109.962 167.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -60.09 3.79 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.083 1.753 . . . . 0.0 110.616 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.776 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.158 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HE3' ' CD1' ' A' ' 114' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.369 0 CA-C-O 122.245 1.022 . . . . 0.0 109.479 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 t -82.61 5.47 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 125.793 1.637 . . . . 0.0 112.287 -174.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.5 m -123.76 141.24 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 121.426 -0.797 . . . . 0.0 110.567 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.8 91.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 123.759 0.695 . . . . 0.0 113.575 -167.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -14.91 35.87 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.283 1.033 . . . . 0.0 112.769 171.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -108.2 -12.31 15.11 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.831 1.252 . . . . 0.0 111.912 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.63 -24.09 18.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 120.663 -1.273 . . . . 0.0 108.465 155.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.31 -53.04 21.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.166 -0.959 . . . . 0.0 111.97 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.92 -41.52 46.27 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.576 1.55 . . . . 0.0 111.066 170.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.484 ' CD1' ' HE3' ' A' ' 105' ' ' LYS . 1.5 t80 -68.49 -45.21 72.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.974 0.909 . . . . 0.0 110.775 -176.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.29 -39.15 93.34 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.598 -0.689 . . . . 0.0 110.702 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.44 -42.85 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.84 -49.4 72.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.043 0.838 . . . . 0.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -72.87 -32.33 65.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.766 -169.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -129.06 -45.02 1.27 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.552 0.615 . . . . 0.0 112.178 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.25 160.02 13.93 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -172.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -68.79 -13.71 62.57 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -165.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.52 -81.57 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.392 1.477 . . . . 0.0 110.462 159.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -62.48 -26.83 68.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.712 1.142 . . . . 0.0 111.977 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 121' ' ' GLU . . . -59.9 -13.14 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 118.182 -0.913 . . . . 0.0 112.232 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.472 ' CZ3' ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -119.11 -53.58 2.25 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.45 0.7 . . . . 0.0 110.338 160.286 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -50.72 -35.29 30.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.371 1.869 . . . . 0.0 114.823 -175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -51.37 7.05 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.66 47.01 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.233 1.013 . . . . 0.0 113.081 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -52.91 -49.84 65.14 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.106 1.363 . . . . 0.0 110.468 176.387 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.97 -32.05 63.53 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.841 0.746 . . . . 0.0 111.441 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 m -60.95 -9.2 3.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.526 1.057 . . . . 0.0 111.719 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.408 ' CG ' ' HB2' ' A' ' 141' ' ' CYS . 5.2 p-90 -55.64 -42.61 75.26 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.047 -1.033 . . . . 0.0 110.439 165.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.44 -32.67 74.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.349 1.06 . . . . 0.0 109.756 -171.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.24 -62.97 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.852 1.261 . . . . 0.0 109.304 171.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.7 mtm -75.46 -12.53 60.26 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -171.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.78 1.59 82.56 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.102 1.81 . . . . 0.0 114.928 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.15 86.29 4.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.465 2.133 . . . . 0.0 110.78 -168.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -53.75 48.31 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.06 0.944 . . . . 0.0 111.134 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -25.43 68.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.258 0.623 . . . . 0.0 111.926 -168.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.754 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.0 mm? -69.39 -59.92 2.68 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.408 ' HB2' ' CG ' ' A' ' 132' ' ' TRP . 35.2 t -57.41 -39.35 75.98 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.436 0.695 . . . . 0.0 111.094 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.1 -65.29 0.72 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.705 0.802 . . . . 0.0 110.137 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.79 -18.74 65.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.0 0.92 . . . . 0.0 112.341 -173.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.38 -14.2 62.78 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.888 . . . . 0.0 112.659 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 CA--C 1.534 0.33 0 C-N-CA 124.566 1.146 . . . . 0.0 112.551 -168.517 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.4 m95 . . . . . 0 N--CA 1.438 -1.063 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.97 -91.08 0.59 Allowed Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 107.023 -2.431 . . . . 0.0 107.023 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -27.43 7.27 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.368 1.067 . . . . 0.0 113.347 172.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.9 1.2 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.79 -24.99 67.73 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.081 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -10.3 3.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.837 1.655 . . . . 0.0 114.641 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -114.36 -41.07 3.52 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.841 2.057 . . . . 0.0 108.279 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -68.98 4.28 1.61 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.808 2.443 . . . . 0.0 112.498 177.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -16.79 14.43 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.989 1.716 . . . . 0.0 111.765 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.658 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -64.36 -47.5 79.07 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 120.076 1.307 . . . . 0.0 108.236 174.046 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -99.25 160.44 14.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.806 1.242 . . . . 0.0 112.026 -176.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -135.5 -161.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.796 1.639 . . . . 0.0 107.507 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -54.58 -16.39 2.38 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -169.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -51.97 -58.36 6.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.415 1.007 . . . . 0.0 109.957 169.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' HB2' HD12 ' A' ' 74' ' ' LEU . 31.5 mt-10 -125.65 -21.08 4.53 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.108 0.867 . . . . 0.0 111.034 -169.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.95 -34.4 77.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 119.794 -1.816 . . . . 0.0 110.901 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -44.86 87.73 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.425 170.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.19 -34.74 78.77 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.869 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -50.63 -60.89 2.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.691 2.042 . . . . 0.0 110.045 171.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -66.21 -25.69 67.04 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.99 -63.96 1.24 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.59 1.556 . . . . 0.0 109.112 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.61 -43.9 69.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 127.306 2.242 . . . . 0.0 110.602 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.53 -48.74 79.67 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.73 70.01 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.921 0.782 . . . . 0.0 111.185 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.68 -34.55 67.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.627 0.771 . . . . 0.0 111.94 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' HE3' ' NE2' ' A' ' 130' ' ' HIS . 1.6 mptt -68.0 -75.72 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.888 1.275 . . . . 0.0 108.306 164.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 C-N-CA 125.555 1.542 . . . . 0.0 110.664 -172.335 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mptt . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.1 t -152.62 15.68 0.59 Allowed 'General case' 0 C--O 1.239 0.536 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -161.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -119.93 160.07 23.44 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.572 0.623 . . . . 0.0 112.447 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -30.26 -61.86 0.19 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 128.05 2.738 . . . . 0.0 112.975 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -14.11 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.477 1.511 . . . . 0.0 113.45 -173.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.06 -47.89 7.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.245 0.618 . . . . 0.0 110.511 -172.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.2 t -53.37 -39.35 35.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.65 -62.01 1.94 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.146 0.979 . . . . 0.0 112.229 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -63.03 -24.25 67.83 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.29 0.496 . . . . 0.0 111.945 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.49 -48.18 65.12 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 172.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 115' ' ' LEU . 6.9 tp -65.13 -43.75 90.91 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.226 1.01 . . . . 0.0 112.46 -173.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.58 -29.37 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 118.886 0.766 . . . . 0.0 110.076 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.7 59.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.722 1.147 . . . . 0.0 111.932 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -65.86 -50.92 62.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.628 0.649 . . . . 0.0 110.238 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -117.25 -22.69 8.18 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -163.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.2 174.3 45.43 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -152.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.46 -34.91 69.49 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 123.924 0.89 . . . . 0.0 112.684 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -60.29 -84.39 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.499 1.52 . . . . 0.0 109.218 -175.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -65.01 -21.83 66.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.251 0.932 . . . . 0.0 111.684 -172.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.79 -18.83 57.49 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.82 1.191 . . . . 0.0 112.317 174.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.463 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.9 OUTLIER -119.9 -49.91 2.3 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 119.501 1.046 . . . . 0.0 109.592 174.305 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -59.53 -22.66 61.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.738 1.215 . . . . 0.0 113.766 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -94.75 -41.26 9.34 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.926 1.239 . . . . 0.0 109.481 171.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.92 -45.4 10.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.463 0.705 . . . . 0.0 112.638 170.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 125' ' ' TRP . 8.9 mt -73.27 -33.35 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.767 1.627 . . . . 0.0 110.795 -175.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.43 ' NE2' ' HE3' ' A' ' 89' ' ' LYS . 2.3 t-160 -59.62 -49.31 78.25 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 164.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -26.33 54.57 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.195 -1.565 . . . . 0.0 112.678 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.405 ' CH2' ' CD2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -76.06 -24.18 55.11 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.917 1.287 . . . . 0.0 111.681 178.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.88 67.67 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.222 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -73.43 -65.32 0.83 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.64 169.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 6.3 mtm -56.88 -24.88 54.99 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 119.664 1.12 . . . . 0.0 113.313 -165.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.21 67.99 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 119.176 0.898 . . . . 0.0 112.781 172.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -79.11 72.08 5.63 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -61.65 -37.62 84.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.578 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -47.98 53.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.295 1.438 . . . . 0.0 110.508 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.658 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.1 mm? -65.17 -52.48 54.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 124.166 0.986 . . . . 0.0 110.143 -178.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.01 -43.17 99.48 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.519 0.328 . . . . 0.0 111.102 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.52 -61.88 2.11 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.643 1.577 . . . . 0.0 108.119 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -50.09 -32.11 14.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.479 1.112 . . . . 0.0 113.119 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -80.81 -8.08 59.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.666 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 CA--C 1.545 0.784 0 CA-C-N 121.271 1.85 . . . . 0.0 112.855 -168.035 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.73 -100.05 0.03 OUTLIER Glycine 0 C--N 1.336 0.567 0 C-N-CA 126.435 1.969 . . . . 0.0 110.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.84 -41.39 1.13 Allowed 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.592 1.957 . . . . 0.0 112.922 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.7 mt -50.62 -41.89 55.46 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 118.705 0.684 . . . . 0.0 110.798 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.24 65.2 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.782 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.27 -50.07 61.88 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.062 1.301 . . . . 0.0 109.554 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -55.84 -43.46 77.03 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.9 9.52 5.24 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.118 0.967 . . . . 0.0 113.069 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 -5.33 7.72 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.756 1.617 . . . . 0.0 113.272 175.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.635 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -57.17 -40.78 77.96 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 170.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.02 166.0 12.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.94 2.096 . . . . 0.0 110.51 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -127.52 -171.67 2.49 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.765 1.626 . . . . 0.0 108.635 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -47.48 -23.4 0.62 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.809 2.044 . . . . 0.0 113.047 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 77' ' ' GLU . 32.3 mt-10 -38.05 -64.03 0.44 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 128.998 2.919 . . . . 0.0 110.341 164.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -124.41 -22.26 4.72 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.441 1.496 . . . . 0.0 110.854 -170.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.6 tp -57.57 -43.46 84.57 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.866 1.266 . . . . 0.0 110.699 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -63.61 -54.44 35.81 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.025 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -42.18 83.21 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.641 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.435 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 27.0 t80 -49.65 -61.89 1.86 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 120.325 1.42 . . . . 0.0 110.604 173.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -66.53 -28.16 68.32 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.905 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.23 -58.8 3.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.496 2.318 . . . . 0.0 110.206 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.0 -41.79 88.52 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.515 1.526 . . . . 0.0 110.067 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tt -59.94 -57.11 14.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.607 1.163 . . . . 0.0 108.514 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.74 -35.68 71.03 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 111.697 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -61.74 -57.32 12.36 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.586 0.755 . . . . 0.0 109.835 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -58.68 6.98 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.88 -173.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 131.549 3.939 . . . . 0.0 119.601 173.462 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 t -145.0 6.25 1.16 Allowed 'General case' 0 C--O 1.238 0.494 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -164.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.27 156.98 31.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.262 1.025 . . . . 0.0 109.606 173.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.01 69.0 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 124.296 0.95 . . . . 0.0 112.25 -175.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.11 -21.28 66.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.35 1.075 . . . . 0.0 111.881 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.89 -58.43 3.31 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 119.427 1.012 . . . . 0.0 109.425 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.407 ' HA ' ' HB3' ' A' ' 114' ' ' TYR . 4.7 m -58.15 -26.69 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.139 0.976 . . . . 0.0 111.96 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.32 -58.92 3.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.456 1.102 . . . . 0.0 113.037 171.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -27.44 68.26 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.345 -0.847 . . . . 0.0 111.915 176.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.407 ' HB3' ' HA ' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.4 -49.12 67.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.92 0.782 . . . . 0.0 108.978 -179.146 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.372 1.069 . . . . 0.0 109.667 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.88 -41.79 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 O-C-N 121.878 -0.514 . . . . 0.0 109.674 173.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -30.69 71.13 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.781 0.832 . . . . 0.0 112.144 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.53 -68.73 0.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.44 -7.51 12.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -149.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.94 177.38 35.98 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -152.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -54.75 -26.94 37.46 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.482 0.713 . . . . 0.0 112.897 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -55.4 -80.46 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.306 1.042 . . . . 0.0 111.546 -170.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.457 ' HA ' ' HB3' ' A' ' 126' ' ' ASP . 0.8 OUTLIER -68.43 -20.81 64.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.186 -179.108 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.35 -14.31 17.86 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.83 -46.63 2.34 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.27 0.941 . . . . 0.0 112.215 164.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' A' ' 123' ' ' ARG . 16.9 t70 -50.4 -43.03 54.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.742 1.617 . . . . 0.0 114.055 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -40.94 21.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.072 0.939 . . . . 0.0 108.726 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -51.37 -36.14 41.9 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.01 0.924 . . . . 0.0 112.662 168.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.69 -39.77 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 120.348 1.431 . . . . 0.0 111.448 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -43.47 98.75 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.5 m -61.55 -37.02 82.26 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.848 0.859 . . . . 0.0 109.34 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -63.6 -36.85 85.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.725 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -75.2 -38.5 60.71 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.776 0.716 . . . . 0.0 109.981 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.31 -46.27 69.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.662 1.185 . . . . 0.0 111.379 173.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 66.4 mtp -77.04 -16.34 59.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.61 25.18 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 118.941 0.792 . . . . 0.0 112.491 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.6 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.7 mm? -106.51 81.93 1.66 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.855 1.327 . . . . 0.0 110.186 173.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -61.77 -44.05 97.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 O-C-N 121.324 -0.86 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.4 p -63.2 0.78 0.57 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.647 1.579 . . . . 0.0 114.286 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.635 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.6 mm? -105.71 -53.25 2.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.173 1.389 . . . . 0.0 107.819 171.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.07 -47.29 68.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.44 1.096 . . . . 0.0 113.393 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.83 -67.02 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -55.81 -19.48 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.026 1.331 . . . . 0.0 114.163 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.43 63.11 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 116.438 -1.744 . . . . 0.0 112.026 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.532 ' N ' HE21 ' A' ' 145' ' ' GLN 0.27 0.1 OUTLIER . . . . . 0 C--N 1.347 0.47 0 CA-C-N 120.4 1.455 . . . . 0.0 111.695 175.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.4 m95 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 -91.68 1.66 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 164.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.31 -44.78 62.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.314 1.446 . . . . 0.0 110.617 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 tp -47.37 -52.7 15.85 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.133 1.373 . . . . 0.0 111.523 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.91 -14.86 58.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.076 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.8 m -63.02 -40.87 99.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 121.681 2.037 . . . . 0.0 110.027 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -61.87 -24.23 66.79 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 123.128 0.571 . . . . 0.0 111.885 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 -8.48 31.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.252 1.021 . . . . 0.0 110.551 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.94 -32.35 57.27 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.484 0.713 . . . . 0.0 110.095 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -81.44 -9.94 59.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.447 0.699 . . . . 0.0 112.708 -171.185 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -69.04 171.95 7.43 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.264 1.825 . . . . 0.0 111.769 -173.182 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -134.94 169.83 16.81 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.471 1.108 . . . . 0.0 110.366 152.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -39.73 -47.76 2.09 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.579 1.952 . . . . 0.0 112.493 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.26 -16.48 45.82 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 112.237 -168.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -131.54 -24.01 2.28 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.658 0.783 . . . . 0.0 110.406 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 33.9 tp -67.76 -40.8 84.01 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.289 1.436 . . . . 0.0 111.813 173.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -53.82 10.23 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -38.62 70.43 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.58 -1.2 . . . . 0.0 111.463 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 52.7 t80 -52.78 -61.15 2.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 120.366 1.439 . . . . 0.0 110.084 172.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -24.55 65.32 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.253 -174.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.65 -71.33 0.21 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.224 2.21 . . . . 0.0 109.421 172.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -49.68 -43.73 47.49 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.782 2.033 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -45.14 -67.32 0.29 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 126.559 1.944 . . . . 0.0 111.398 167.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.54 25.37 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -93.52 -38.86 11.18 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.893 1.277 . . . . 0.0 109.283 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.92 -61.9 1.88 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.171 1.388 . . . . 0.0 107.75 163.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 123.278 0.631 . . . . 0.0 112.25 -166.243 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.6 p -104.17 27.8 7.39 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.161 0.984 . . . . 0.0 111.232 171.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 p -118.31 141.24 48.72 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 120.631 -1.293 . . . . 0.0 108.763 165.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.57 -37.63 89.39 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.941 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.2 ptm -74.26 -26.78 60.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.998 -0.707 . . . . 0.0 112.158 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -81.47 -37.19 28.35 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.298 0.954 . . . . 0.0 111.022 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -55.27 -40.94 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 119.289 0.95 . . . . 0.0 108.821 168.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.57 -64.67 0.84 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.737 0.815 . . . . 0.0 112.246 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 p -58.25 -30.32 66.46 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.345 0.52 . . . . 0.0 111.948 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -65.64 -55.15 19.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.84 -41.11 95.98 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.621 -0.674 . . . . 0.0 110.979 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.66 -26.63 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.933 1.293 . . . . 0.0 111.183 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.27 -4.49 25.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.599 1.159 . . . . 0.0 113.583 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -94.56 -38.77 10.72 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 125.051 1.341 . . . . 0.0 110.681 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -111.17 -56.13 2.41 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.771 1.228 . . . . 0.0 110.708 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 118.49 159.09 11.04 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -166.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.19 -32.57 64.49 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 124.678 1.191 . . . . 0.0 113.834 -162.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -60.13 -74.76 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 119.082 0.855 . . . . 0.0 110.439 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -63.44 -30.2 71.36 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.785 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -6.29 8.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.595 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.461 ' HE1' ' HB1' ' A' ' 144' ' ' ALA . 1.7 t-105 -120.71 -46.35 2.36 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.794 1.179 . . . . 0.0 112.122 156.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.85 -33.52 56.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.313 1.845 . . . . 0.0 114.996 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.99 -48.68 15.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.8 1.64 . . . . 0.0 107.755 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.569 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -54.46 -35.48 63.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.775 2.43 . . . . 0.0 112.887 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.39 -50.75 68.91 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 124.574 1.15 . . . . 0.0 110.396 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -37.04 83.19 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.945 0.498 . . . . 0.0 110.225 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 77.0 m -64.29 -29.91 70.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.887 0.875 . . . . 0.0 110.126 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.443 ' CH2' HD13 ' A' ' 140' ' ' LEU . 5.8 m95 -61.71 -47.38 85.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.52 -0.738 . . . . 0.0 110.17 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -63.57 -32.25 73.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.114 0.966 . . . . 0.0 111.226 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -60.28 -42.11 94.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.215 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -81.81 -15.37 54.39 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.018 0.826 . . . . 0.0 111.738 171.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.93 60.92 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.67 1.605 . . . . 0.0 114.301 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.82 78.13 5.28 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 120.332 2.066 . . . . 0.0 110.45 -169.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -55.01 -49.29 71.88 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 125.127 1.371 . . . . 0.0 109.988 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.2 m -62.23 -37.72 86.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.585 0.754 . . . . 0.0 111.347 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.62 HD11 ' CE1' ' A' ' 73' ' ' PHE . 90.2 mt -68.11 -49.53 60.53 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.0 t -53.71 -39.27 65.07 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.923 0.889 . . . . 0.0 110.343 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.9 -56.39 9.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.029 2.132 . . . . 0.0 110.935 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.59 -24.97 64.21 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.35 -0.844 . . . . 0.0 110.816 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.461 ' HB1' ' HE1' ' A' ' 125' ' ' TRP . . . -81.61 0.71 37.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.42 1.488 . . . . 0.0 113.762 174.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 N--CA 1.469 0.504 0 CA-C-N 120.184 1.356 . . . . 0.0 112.703 -176.249 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.8 -105.69 0.04 OUTLIER Glycine 0 CA--C 1.526 0.72 0 C-N-CA 127.012 2.244 . . . . 0.0 112.988 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -16.55 40.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 117.661 -1.161 . . . . 0.0 113.534 -172.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mp -41.01 -58.05 1.84 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.555 1.542 . . . . 0.0 109.966 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -17.36 62.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.6 -1.191 . . . . 0.0 112.346 -172.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 16.5 t -67.21 -45.03 78.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 120.245 1.384 . . . . 0.0 108.498 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -62.37 -43.49 98.7 Favored 'General case' 0 CA--C 1.523 -0.084 0 O-C-N 121.205 -0.935 . . . . 0.0 109.407 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 9.53 3.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.583 0.753 . . . . 0.0 111.987 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -107.18 -15.07 14.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.319 2.248 . . . . 0.0 110.109 166.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -60.2 2.56 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.256 1.389 . . . . 0.0 107.986 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -89.94 149.54 22.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.862 1.315 . . . . 0.0 110.148 -173.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -116.76 -171.83 2.09 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.506 1.922 . . . . 0.0 107.599 -175.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -60.55 -14.78 21.92 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 117.093 -1.432 . . . . 0.0 114.54 -160.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -49.37 -71.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.512 1.051 . . . . 0.0 109.769 163.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -106.99 -17.51 14.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -160.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.46 -42.81 99.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.207 1.003 . . . . 0.0 109.004 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -69.28 -48.11 62.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 115.809 -2.043 . . . . 0.0 110.113 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.47 -45.86 69.74 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.786 1.63 . . . . 0.0 110.082 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -54.78 -46.05 74.36 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 119.294 0.952 . . . . 0.0 111.569 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.92 -46.92 82.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.035 0.834 . . . . 0.0 111.143 175.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.06 -64.41 0.89 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.398 2.679 . . . . 0.0 109.157 -170.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.18 -48.53 67.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.989 2.116 . . . . 0.0 110.489 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.76 -56.45 19.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.747 1.219 . . . . 0.0 109.236 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.13 67.61 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.124 -0.985 . . . . 0.0 111.27 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.73 -29.28 40.57 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.376 1.07 . . . . 0.0 111.486 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.2 93.67 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 109.493 163.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.413 0 C-N-CA 125.048 1.339 . . . . 0.0 110.935 -176.354 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.6 mttp . . . . . 0 C--O 1.236 0.352 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.9 p -144.37 -1.78 0.91 Allowed 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.688 1.195 . . . . 0.0 113.348 -173.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 m -123.93 141.19 52.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 118.49 0.587 . . . . 0.0 109.789 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.76 -53.95 9.63 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 125.484 1.516 . . . . 0.0 113.015 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.9 ptp -54.26 -27.93 38.26 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.474 1.51 . . . . 0.0 114.302 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.07 -34.32 10.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.435 1.016 . . . . 0.0 110.983 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.45 -40.03 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 167.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -60.88 3.16 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.906 1.23 . . . . 0.0 111.551 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p -63.02 -24.67 68.03 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.708 -0.62 . . . . 0.0 112.061 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -74.11 -42.88 59.37 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.378 1.071 . . . . 0.0 109.56 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.38 -48.96 79.66 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.723 1.209 . . . . 0.0 110.309 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -53.96 -44.94 63.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.919 0.887 . . . . 0.0 109.744 172.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.54 -59.82 4.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.31 0.959 . . . . 0.0 110.339 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.03 -40.95 97.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 113.145 -169.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -119.78 -24.01 6.3 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 97.17 158.17 30.98 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -168.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -27.84 58.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.847 1.659 . . . . 0.0 115.009 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.34 -74.99 0.09 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.42 1.088 . . . . 0.0 110.354 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.17 -24.61 66.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.876 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.87 -18.9 25.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.078 -0.963 . . . . 0.0 112.298 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.79 -56.97 2.28 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 118.951 0.796 . . . . 0.0 110.408 162.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.33 -29.96 6.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.736 2.014 . . . . 0.0 116.396 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.82 -53.62 4.66 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 169.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.74 -26.19 22.24 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.323 1.449 . . . . 0.0 114.3 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.78 -40.28 79.45 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 127.317 2.247 . . . . 0.0 110.068 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -20.97 53.77 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.283 0.947 . . . . 0.0 112.697 -166.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 58.4 p -62.49 -25.53 68.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.286 1.434 . . . . 0.0 110.59 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -58.43 -39.21 79.18 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.95 -36.87 64.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.597 1.159 . . . . 0.0 108.699 -170.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.11 -55.15 6.02 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.274 1.03 . . . . 0.0 111.956 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 53.7 mtp -73.82 -18.0 61.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.967 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.86 6.91 69.13 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.354 1.931 . . . . 0.0 115.269 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.2 95.59 5.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.572 2.186 . . . . 0.0 111.003 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.77 -59.06 5.24 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.083 1.353 . . . . 0.0 110.9 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.0 t -67.12 -18.85 65.48 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.857 -170.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 22.4 mt -69.37 -62.35 1.41 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.494 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 19.0 t -50.5 -39.15 47.74 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 118.573 0.624 . . . . 0.0 112.095 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.01 -83.41 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.898 2.079 . . . . 0.0 109.127 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.52 -25.2 67.91 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.515 -1.366 . . . . 0.0 113.751 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.26 -24.28 18.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.053 0.941 . . . . 0.0 112.723 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 125.247 1.419 . . . . 0.0 110.982 -163.329 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.76 -101.01 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 126.31 1.91 . . . . 0.0 111.718 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -54.44 -26.03 28.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 117.845 -1.074 . . . . 0.0 113.148 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -49.73 -51.32 39.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.123 1.328 . . . . 0.0 110.587 169.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -21.81 65.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 117.754 -1.117 . . . . 0.0 111.396 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.64 -43.79 62.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.971 1.26 . . . . 0.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.49 -42.04 91.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.884 -1.135 . . . . 0.0 108.681 168.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.69 8.07 2.63 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -110.7 -8.0 14.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.547 1.939 . . . . 0.0 110.996 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -59.25 2.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 169.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.82 165.1 25.52 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.39 1.476 . . . . 0.0 111.144 -174.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.26 -169.85 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.009 1.323 . . . . 0.0 111.58 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -53.11 -11.64 0.28 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.61 -66.14 0.59 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.98 0.912 . . . . 0.0 109.585 163.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -104.21 -22.58 13.37 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.611 -0.68 . . . . 0.0 109.596 -157.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.485 HD21 ' HA2' ' A' ' 108' ' ' GLY . 2.8 tm? -58.02 -41.01 82.23 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.655 1.182 . . . . 0.0 109.333 167.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -66.36 0.53 Allowed 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 125.415 1.486 . . . . 0.0 110.079 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.61 71.33 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.92 0.782 . . . . 0.0 110.818 -172.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 56.2 t80 -55.43 -60.52 3.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.644 1.111 . . . . 0.0 111.278 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -68.46 -28.1 66.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.527 -0.733 . . . . 0.0 111.289 -171.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.39 -65.63 0.65 Allowed 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 126.871 2.068 . . . . 0.0 109.274 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.45 -41.18 89.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.266 1.026 . . . . 0.0 111.376 -176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.73 -50.85 71.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.009 0.924 . . . . 0.0 108.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.31 -29.4 70.48 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 118.976 -0.535 . . . . 0.0 111.898 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -68.48 -49.09 62.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.71 0.686 . . . . 0.0 109.961 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -60.76 2.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 128.298 2.639 . . . . 0.0 110.366 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.705 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -177.655 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 CA--C 1.523 -0.096 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -144.42 14.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.448 1.099 . . . . 0.0 111.955 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 m -136.87 148.83 47.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.485 ' HA2' HD21 ' A' ' 79' ' ' LEU . . . -59.07 -45.96 94.48 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 124.195 0.902 . . . . 0.0 112.378 -165.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ptp -66.17 -23.97 66.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.929 -0.748 . . . . 0.0 111.725 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -89.89 -35.95 15.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.618 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.4 HG22 ' HA2' ' A' ' 108' ' ' GLY . 28.6 m -67.66 -33.42 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 119.826 1.193 . . . . 0.0 109.833 169.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.21 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.175 -0.953 . . . . 0.0 111.233 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.8 t -52.8 -37.99 60.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.042 0.937 . . . . 0.0 111.222 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.87 75.93 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.687 1.195 . . . . 0.0 110.335 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.58 -32.27 60.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.473 -0.767 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.23 -42.41 95.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.37 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.954 0.797 . . . . 0.0 111.278 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -68.0 -55.38 12.84 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.665 174.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 123' ' ' ARG . 20.9 m-85 -133.75 -2.67 2.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 117.778 2.51 . . . . 0.0 117.778 -162.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.25 167.49 24.82 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 120.818 1.644 . . . . 0.0 112.24 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.97 42.97 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.73 2.012 . . . . 0.0 114.132 -170.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -64.52 -83.97 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 119.226 0.921 . . . . 0.0 108.558 167.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.412 ' HB2' ' HB3' ' A' ' 119' ' ' TYR . 4.5 mpt_? -63.29 -28.66 70.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.633 -0.667 . . . . 0.0 111.699 -169.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.89 -11.43 18.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.586 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.23 -52.5 2.17 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.828 164.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -45.7 -42.47 11.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.867 2.067 . . . . 0.0 114.092 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -46.8 13.6 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.517 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -49.98 -37.11 30.96 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.817 2.047 . . . . 0.0 113.047 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -45.68 84.27 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 126.18 1.792 . . . . 0.0 110.524 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -34.49 73.32 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.826 0.45 . . . . 0.0 110.737 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -68.89 -16.76 63.85 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.991 -1.068 . . . . 0.0 110.576 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -73.44 -31.3 63.74 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.259 -0.9 . . . . 0.0 111.744 167.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -43.92 81.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.723 171.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -52.9 -62.53 1.59 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.561 1.144 . . . . 0.0 110.303 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.438 ' HB3' HD23 ' A' ' 137' ' ' LEU . 38.5 mtp -72.16 -8.39 54.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.088 -175.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.9 14.32 82.73 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 119.826 1.194 . . . . 0.0 113.792 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 135' ' ' MET . 4.5 mm? -78.86 69.57 5.05 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 126.455 1.902 . . . . 0.0 108.708 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -67.86 -28.17 67.32 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 117.028 -1.463 . . . . 0.0 111.826 -175.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.1 m -57.5 -47.15 82.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.267 1.394 . . . . 0.0 109.895 171.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.7 mt -67.25 -46.62 73.17 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.108 0.563 . . . . 0.0 111.147 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.85 -46.12 88.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.876 0.87 . . . . 0.0 109.902 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.01 1.45 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.483 1.513 . . . . 0.0 109.337 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.89 -28.89 67.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.682 1.128 . . . . 0.0 113.428 -173.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.99 58.14 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 128.086 2.555 . . . . 0.0 109.287 -171.375 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 39.7 p-90 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -17.88 57.81 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.444 -1.198 . . . . 0.0 115.164 -172.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.09 -36.75 9.59 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.093 1.947 . . . . 0.0 110.764 166.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.46 -45.62 73.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.113 1.324 . . . . 0.0 109.783 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.37 70.29 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.058 -0.972 . . . . 0.0 112.393 175.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -64.51 -41.81 96.19 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.053 1.297 . . . . 0.0 110.293 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -58.23 -53.87 53.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.86 -4.24 4.24 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.123 2.169 . . . . 0.0 113.647 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -91.47 -17.16 26.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.394 1.477 . . . . 0.0 111.069 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.637 ' HE1' HD11 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -77.44 -55.44 5.38 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.583 1.538 . . . . 0.0 110.234 -179.083 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -67.54 157.58 34.0 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.856 1.262 . . . . 0.0 110.748 177.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -120.23 -172.45 2.36 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.766 1.627 . . . . 0.0 107.363 169.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 106' ' ' THR . 3.4 mptt -53.04 -15.57 0.85 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -175.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.88 -37.63 32.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.02 2.128 . . . . 0.0 112.187 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.42 -6.15 0.48 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.402 0.681 . . . . 0.0 111.921 169.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.95 -40.09 75.77 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.481 -2.012 . . . . 0.0 111.201 165.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -57.81 -55.41 35.26 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 173.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -54.47 -38.81 66.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.296 1.038 . . . . 0.0 111.023 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -56.27 -61.3 2.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.531 1.06 . . . . 0.0 110.033 172.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -27.52 67.25 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.257 0.935 . . . . 0.0 112.81 -172.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -63.08 -68.11 0.37 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 129.464 3.105 . . . . 0.0 108.749 172.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.33 -47.1 86.67 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.331 1.452 . . . . 0.0 109.375 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -50.75 -52.41 40.88 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.33 1.452 . . . . 0.0 111.14 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.29 -21.68 65.67 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.495 -0.753 . . . . 0.0 112.194 -176.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -88.31 -45.33 10.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.14 0.976 . . . . 0.0 109.988 -176.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -61.94 1.98 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.777 2.031 . . . . 0.0 109.745 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.473 0 C-N-CA 127.23 2.212 . . . . 0.0 113.648 -177.741 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.449 ' HE3' ' CG ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 119.034 -0.508 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.432 ' O ' ' HE3' ' A' ' 76' ' ' LYS 0.267 2.2 t -133.07 16.23 4.17 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.558 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.41 152.63 20.5 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 119.932 -1.73 . . . . 0.0 107.6 159.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.5 -35.23 74.89 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 169.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ptp -68.44 -7.62 33.44 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.694 -1.474 . . . . 0.0 113.105 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -99.09 -29.91 12.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.232 1.413 . . . . 0.0 111.338 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.95 -27.75 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 119.662 -1.899 . . . . 0.0 110.8 168.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -61.03 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.119 1.368 . . . . 0.0 112.396 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 p -56.69 -31.24 64.27 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.449 ' CG ' ' HE3' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -68.97 -40.03 79.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.851 0.75 . . . . 0.0 111.138 179.577 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.52 -44.47 82.41 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.792 -0.567 . . . . 0.0 109.512 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 10.4 t -67.39 -31.8 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 122.941 0.496 . . . . 0.0 110.473 173.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.55 87.92 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.152 -0.968 . . . . 0.0 111.788 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -74.73 -58.29 3.38 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.681 -0.637 . . . . 0.0 110.858 175.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.68 6.64 6.79 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -162.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 70.58 -106.85 1.97 Allowed Glycine 0 C--O 1.216 -0.999 0 CA-C-O 123.031 1.351 . . . . 0.0 111.353 -178.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -120.61 -46.18 2.38 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.513 -2.169 . . . . 0.0 110.458 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -52.7 -82.77 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 -174.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -19.18 64.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.657 1.117 . . . . 0.0 111.354 177.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -17.51 63.72 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 120.168 1.349 . . . . 0.0 111.824 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -54.9 2.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 124.051 0.94 . . . . 0.0 108.82 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.12 -37.51 15.58 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.731 1.605 . . . . 0.0 114.889 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -56.19 4.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 172.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.78 24.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -52.47 -38.93 60.48 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 128.406 2.682 . . . . 0.0 111.445 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -53.09 -34.77 58.11 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -12.75 61.04 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.706 -1.246 . . . . 0.0 110.986 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . 0.519 ' CH2' HD13 ' A' ' 140' ' ' LEU . 7.4 m95 -78.85 -18.35 54.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 120.69 -1.256 . . . . 0.0 112.565 169.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.03 -57.2 12.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 161.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.35 -50.31 74.12 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.775 1.23 . . . . 0.0 112.312 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.425 ' HB3' HD23 ' A' ' 137' ' ' LEU . 42.2 mtp -84.29 -12.24 55.0 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.414 -0.804 . . . . 0.0 112.802 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.29 7.3 88.56 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 119.338 0.972 . . . . 0.0 115.406 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 135' ' ' MET . 3.9 mm? -79.32 80.85 5.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.127 1.464 . . . . 0.0 108.539 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -55.09 -46.42 75.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.498 177.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.1 p -46.87 -53.35 12.32 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 126.473 1.909 . . . . 0.0 111.183 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.637 HD11 ' HE1' ' A' ' 73' ' ' PHE . 89.5 mt -68.34 -40.71 81.48 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.754 -0.591 . . . . 0.0 110.864 -174.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 20.6 t -60.59 -43.84 96.9 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.271 0.487 . . . . 0.0 110.414 173.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.88 -63.55 1.06 Allowed 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.397 1.479 . . . . 0.0 108.88 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -53.54 -26.04 19.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.478 1.49 . . . . 0.0 113.152 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.65 63.58 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.14 1.336 . . . . 0.0 113.126 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 . . . . . 0 CA--C 1.536 0.406 0 CA-C-N 120.822 1.646 . . . . 0.0 112.747 -163.056 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 122.161 0.981 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.03 176.2 4.58 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.456 1.102 . . . . 0.0 109.695 164.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.518 ' HA3' ' CE3' ' A' ' 64' ' ' TRP . . . -132.72 -174.69 13.69 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 122.026 -0.421 . . . . 0.0 112.971 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.02 -46.77 50.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 125.048 1.308 . . . . 0.0 110.741 169.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.54 65.04 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 126.515 1.926 . . . . 0.0 106.065 163.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.518 ' CE3' ' HA3' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -150.53 -66.31 0.2 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.722 -0.611 . . . . 0.0 110.808 -174.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.88 -113.47 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -47.84 -22.01 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 127.629 2.372 . . . . 0.0 113.744 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.43 -51.13 37.54 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.309 1.413 . . . . 0.0 109.662 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.58 -11.24 60.57 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.87 -42.37 63.74 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 119.891 1.223 . . . . 0.0 109.547 171.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -57.7 -45.95 85.01 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.67 17.06 0.58 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.534 1.134 . . . . 0.0 112.904 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -24.06 13.76 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.86 -1.15 . . . . 0.0 110.263 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -67.09 -49.59 64.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.576 0.625 . . . . 0.0 109.403 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -96.8 151.64 19.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.093 0.949 . . . . 0.0 111.884 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -126.83 -168.75 1.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 128.606 2.763 . . . . 0.0 107.108 -175.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -27.84 34.85 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 0.0 112.821 -171.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.17 -34.97 4.66 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -143.37 -9.07 0.75 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 170.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.18 -37.53 83.26 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.922 2.146 . . . . 0.0 111.747 171.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HE3' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -62.15 -52.81 62.32 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.677 169.56 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.65 -37.6 73.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.659 1.118 . . . . 0.0 111.034 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.85 -59.12 5.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 119.055 0.843 . . . . 0.0 111.087 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -63.08 -23.64 67.54 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.753 -0.592 . . . . 0.0 112.232 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.06 -65.84 0.79 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 127.649 2.38 . . . . 0.0 109.932 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 mt -50.36 -44.35 54.64 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.114 2.166 . . . . 0.0 111.329 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 127' ' ' LEU . 2.3 tp -40.89 -59.23 1.48 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.553 2.341 . . . . 0.0 110.923 168.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.76 -20.16 64.35 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.023 0.529 . . . . 0.0 112.169 -171.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -77.64 -51.33 10.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -54.09 50.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.019 1.328 . . . . 0.0 109.409 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 24.15 91.29 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 129.694 3.198 . . . . 0.0 113.227 167.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -52.92 -8.37 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.672 2.389 . . . . 0.0 116.822 -160.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -50.67 -60.14 3.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.372 1.469 . . . . 0.0 110.786 165.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 59.4 104.14 0.02 OUTLIER 'General case' 0 C--N 1.342 0.272 0 C-N-CA 127.094 2.157 . . . . 0.0 110.705 -163.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -150.77 170.16 19.91 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.572 1.149 . . . . 0.0 108.689 171.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m -72.75 49.96 0.24 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.501 2.32 . . . . 0.0 113.287 -172.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.21 -45.56 0.13 Allowed 'General case' 0 N--CA 1.462 0.16 0 O-C-N 121.001 -1.062 . . . . 0.0 109.991 168.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.24 37.08 63.47 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 123.302 0.477 . . . . 0.0 112.493 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -136.69 173.07 12.1 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 127.103 2.161 . . . . 0.0 106.928 168.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 p -109.23 159.0 32.9 Favored Pre-proline 0 N--CA 1.449 -0.524 0 C-N-CA 124.517 1.127 . . . . 0.0 109.472 164.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.36 167.07 28.02 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.477 2.118 . . . . 0.0 111.347 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.88 115.26 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 129.151 2.98 . . . . 0.0 113.262 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -61.42 142.39 93.91 Favored Pre-proline 0 C--O 1.238 0.461 0 C-N-CA 125.012 1.325 . . . . 0.0 110.885 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -72.9 155.42 53.27 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 121.706 1.604 . . . . 0.0 112.291 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -142.75 14.07 1.92 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -174.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.67 120.64 41.58 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -168.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.266 12.9 t -109.88 -35.13 6.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.494 -168.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.6 t -79.25 161.86 26.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 120.578 1.535 . . . . 0.0 108.583 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.46 -42.69 90.03 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 170.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 30.6 mtm -55.04 -39.94 69.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 122.038 0.923 . . . . 0.0 111.099 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.75 -42.0 59.04 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.426 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.49 -25.24 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.387 0.675 . . . . 0.0 109.948 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 109' ' ' MET . . . -66.46 -65.39 0.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.028 -1.045 . . . . 0.0 111.618 174.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.4 m -65.64 -16.96 64.23 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.49 -54.97 10.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.716 1.206 . . . . 0.0 109.191 169.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.19 -34.76 76.87 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.577 -0.702 . . . . 0.0 111.946 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.24 -23.33 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 121.83 -0.544 . . . . 0.0 110.907 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.25 -47.59 17.59 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.018 -1.051 . . . . 0.0 109.5 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -52.4 -46.53 66.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.816 0.846 . . . . 0.0 110.064 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -121.75 -77.48 0.59 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.962 0.905 . . . . 0.0 110.241 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 151.14 -172.78 30.71 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 105.208 -3.157 . . . . 0.0 105.208 -162.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.93 -42.89 85.76 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.445 2.123 . . . . 0.0 110.204 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.61 -79.6 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.637 1.175 . . . . 0.0 111.284 -168.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -70.46 -4.99 25.38 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 117.335 -1.317 . . . . 0.0 112.061 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.04 -72.75 0.14 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 120.457 1.481 . . . . 0.0 107.75 160.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -72.05 -40.6 68.23 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -165.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.16 -40.51 81.62 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.026 -1.046 . . . . 0.0 111.067 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 86' ' ' LEU . 3.4 tt -77.28 -36.55 54.18 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.877 1.271 . . . . 0.0 109.315 176.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.99 78.31 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.446 -1.409 . . . . 0.0 111.566 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.11 -20.79 65.84 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.634 1.573 . . . . 0.0 112.524 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -75.91 -47.3 25.83 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.871 -0.518 . . . . 0.0 110.875 161.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.7 m -61.78 -25.76 67.67 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.486 -1.384 . . . . 0.0 111.315 -168.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -76.21 -21.3 56.61 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.268 -1.52 . . . . 0.0 112.546 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -36.57 84.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.974 1.31 . . . . 0.0 109.275 167.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.92 -59.82 3.47 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.355 0.662 . . . . 0.0 109.511 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -61.75 -47.79 83.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.129 0.877 . . . . 0.0 112.369 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.86 41.98 1.75 Allowed Glycine 0 CA--C 1.522 0.52 0 CA-C-N 118.715 0.689 . . . . 0.0 111.817 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.453 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.7 mm? -104.12 70.64 0.99 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 118.542 1.171 . . . . 0.0 108.268 173.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -60.31 -32.52 71.3 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.629 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -57.09 -42.27 80.39 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 119.099 -0.477 . . . . 0.0 110.552 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.793 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.5 mm? -71.8 -48.82 43.82 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 118.662 0.665 . . . . 0.0 109.316 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.25 -27.64 47.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.288 1.035 . . . . 0.0 112.43 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.43 -61.65 1.88 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.224 1.41 . . . . 0.0 109.407 171.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -49.31 -42.16 40.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.9 2.08 . . . . 0.0 111.913 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -20.1 52.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.398 1.879 . . . . 0.0 113.299 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -127.2 -7.82 5.9 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.428 1.491 . . . . 0.0 112.259 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.9 0.91 2.15 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.722 2.409 . . . . 0.0 114.033 -171.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.67 13.93 61.88 Favored Glycine 0 CA--C 1.532 1.126 0 O-C-N 121.411 -0.805 . . . . 0.0 112.363 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -115.37 -25.07 8.12 Favored 'General case' 0 N--CA 1.461 0.114 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -158.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 67.82 41.81 87.8 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.688 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.59 -171.45 0.19 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.933 1.693 . . . . 0.0 110.018 -164.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.532 0.28 0 O-C-N 121.468 -0.77 . . . . 0.0 109.042 178.519 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.411 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 97.44 105.72 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 131.545 3.938 . . . . 0.0 110.835 -171.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.61 -0.13 0.53 Allowed Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.245 2.355 . . . . 0.0 116.965 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.21 10.27 78.13 Favored Glycine 0 N--CA 1.466 0.648 0 CA-C-N 120.122 1.961 . . . . 0.0 112.204 -161.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.43 -2.0 2.8 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 125.636 1.575 . . . . 0.0 110.964 -171.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.37 -78.46 0.06 Allowed 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.751 -1.218 . . . . 0.0 109.825 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 51.35 -114.1 2.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -25.39 61.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 118.259 -0.876 . . . . 0.0 112.277 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -50.81 -50.95 55.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 119.836 1.198 . . . . 0.0 111.0 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.12 -21.7 66.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.515 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.74 -35.48 77.16 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.011 1.278 . . . . 0.0 111.278 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -65.65 -44.17 87.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.333 0.97 . . . . 0.0 108.702 172.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt -72.68 -2.58 20.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.4 0.68 . . . . 0.0 112.58 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.11 -7.6 55.44 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.295 1.438 . . . . 0.0 111.673 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -84.11 -69.13 0.66 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 120.074 1.307 . . . . 0.0 108.974 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.16 165.94 12.76 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 111.98 178.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -132.13 -167.72 1.93 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.803 2.041 . . . . 0.0 107.397 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' H ' ' HD2' ' A' ' 76' ' ' LYS . 9.8 mptt -51.54 -29.28 16.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.37 1.468 . . . . 0.0 112.033 -166.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -42.46 -43.33 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.918 2.087 . . . . 0.0 112.386 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -125.8 -28.95 3.17 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.698 0.799 . . . . 0.0 110.137 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.9 tp -50.39 -34.7 25.24 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 119.44 -2.038 . . . . 0.0 113.09 170.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -52.53 63.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.098 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.25 -44.41 79.63 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 116.698 -1.62 . . . . 0.0 109.752 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.86 -61.39 2.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 121.204 1.82 . . . . 0.0 110.17 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -66.01 -26.14 67.4 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.38 -1.45 . . . . 0.0 112.023 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -57.46 3.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.045 -1.035 . . . . 0.0 110.759 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.05 -21.78 34.0 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.013 1.325 . . . . 0.0 112.085 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -68.19 0.39 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.43 78.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.933 1.293 . . . . 0.0 111.489 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -67.04 -19.0 65.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.325 1.45 . . . . 0.0 113.518 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -83.02 -54.12 5.3 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 166.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.25 -61.18 2.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.845 2.058 . . . . 0.0 111.0 -165.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.11 151.95 1.79 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.536 1.934 . . . . 0.0 107.799 174.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t 60.61 -164.37 0.23 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.343 1.057 . . . . 0.0 111.129 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.99 -47.61 1.5 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.468 1.107 . . . . 0.0 109.696 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t 50.23 87.49 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 126.844 2.058 . . . . 0.0 112.63 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -146.42 105.3 3.86 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 160.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 p -154.76 142.88 20.27 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.98 1.6 51.58 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.327 0.965 . . . . 0.0 112.885 -172.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.45 165.26 12.33 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.707 0.803 . . . . 0.0 112.555 -154.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m 66.76 142.06 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 129.464 3.105 . . . . 0.0 111.785 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -73.94 -179.45 4.63 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.492 2.795 . . . . 0.0 109.632 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.89 52.09 12.54 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.166 0.986 . . . . 0.0 109.049 -163.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -67.5 139.5 94.32 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.39 149.72 40.24 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 124.825 3.683 . . . . 0.0 111.601 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -136.46 90.71 2.59 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -131.99 101.01 5.25 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 160.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -132.3 65.95 1.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.697 1.199 . . . . 0.0 107.928 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 65.8 m -134.12 143.57 48.05 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 166.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.66 46.09 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.001 0.81 . . . . 0.0 111.179 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.1 mtm -54.18 -35.8 62.72 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.418 1.087 . . . . 0.0 112.476 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -90.56 -40.79 11.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.986 -167.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.48 -37.25 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 167.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.72 66.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.353 0.979 . . . . 0.0 112.549 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -60.08 -29.2 68.41 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.066 -0.396 . . . . 0.0 111.178 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -74.34 -43.1 58.05 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.4 1.48 . . . . 0.0 110.239 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.94 -42.41 76.76 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.375 -0.828 . . . . 0.0 110.665 -172.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.82 -30.87 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.908 0.776 . . . . 0.0 110.05 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.03 -0.18 26.91 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -117.41 -40.28 3.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 0.0 109.646 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.22 -17.51 10.78 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.904 1.681 . . . . 0.0 114.667 -172.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.95 155.97 0.96 Allowed Glycine 0 CA--C 1.53 1.007 0 CA-C-N 119.6 1.091 . . . . 0.0 111.155 -165.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -8.51 12.18 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -170.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -68.41 -81.62 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.761 0.824 . . . . 0.0 109.111 166.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.28 -28.66 70.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.679 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.29 -16.75 48.88 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.64 1.109 . . . . 0.0 112.115 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -113.32 -46.99 3.04 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 119.568 1.076 . . . . 0.0 111.767 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.97 -32.83 68.24 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.521 1.055 . . . . 0.0 112.094 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.7 tt -81.49 -37.06 28.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.622 -1.299 . . . . 0.0 110.018 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.43 76.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.659 0.784 . . . . 0.0 110.944 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.79 -34.36 67.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.481 -0.762 . . . . 0.0 110.567 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -70.16 -57.35 5.03 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.493 1.042 . . . . 0.0 110.675 167.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.5 m -39.42 -47.6 1.82 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.623 1.969 . . . . 0.0 113.767 -163.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.619 ' CZ3' HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -92.17 -3.04 56.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -173.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -55.71 -53.72 53.16 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.714 159.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -67.09 -17.5 64.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.363 -0.827 . . . . 0.0 112.597 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.5 mtm -80.68 -8.93 59.8 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.117 1.326 . . . . 0.0 112.773 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.82 43.02 85.27 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 120.044 1.293 . . . . 0.0 112.404 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.725 ' HB2' HD23 ' A' ' 140' ' ' LEU 0.583 0.0 OUTLIER -126.72 59.02 1.39 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.405 1.482 . . . . 0.0 111.617 170.836 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -57.62 -25.17 59.73 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 65.4 m -63.79 -22.93 67.15 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.073 1.306 . . . . 0.0 113.12 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.725 HD23 ' HB2' ' A' ' 137' ' ' LEU . 2.5 mm? -64.23 -57.29 9.9 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.111 1.365 . . . . 0.0 108.405 168.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -49.22 24.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.67 1.588 . . . . 0.0 109.941 176.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.34 25.2 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -54.66 -36.98 65.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.813 0.733 . . . . 0.0 112.228 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.64 -21.13 9.65 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.358 1.463 . . . . 0.0 113.034 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -133.75 16.48 3.93 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.862 1.21 . . . . 0.0 111.534 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -130.02 75.97 1.69 Allowed 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.65 1.58 . . . . 0.0 108.2 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 72.98 -19.22 1.27 Allowed Glycine 0 CA--C 1.533 1.211 0 CA-C-O 117.878 -1.512 . . . . 0.0 113.912 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 94.92 7.16 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 130.371 3.468 . . . . 0.0 111.792 -173.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 104.64 -162.32 14.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 -169.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -68.71 174.13 4.57 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.721 0.809 . . . . 0.0 109.401 169.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.451 -0.423 0 O-C-N 121.91 -0.494 . . . . 0.0 110.495 -178.029 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.6 ppp? . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -100.48 102.14 13.26 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.795 1.238 . . . . 0.0 109.314 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.43 -80.33 0.03 OUTLIER Glycine 0 CA--C 1.522 0.526 0 C-N-CA 125.69 1.614 . . . . 0.0 109.666 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.67 60.32 0.04 OUTLIER Glycine 0 C--N 1.333 0.407 0 CA-C-O 118.549 -1.139 . . . . 0.0 111.657 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.552 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . 55.7 40.34 30.86 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.911 1.284 . . . . 0.0 112.538 -171.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -134.31 -162.19 1.22 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 172.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.29 -79.18 0.31 Allowed Glycine 0 CA--C 1.508 -0.355 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 mtm105 -41.84 -52.29 4.05 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.153 1.381 . . . . 0.0 111.686 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -55.56 -44.98 77.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.82 60.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.87 0.759 . . . . 0.0 111.877 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -66.38 -58.89 4.33 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.342 1.457 . . . . 0.0 109.427 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -65.4 -37.55 87.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 120.717 -1.239 . . . . 0.0 110.733 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.48 -1.94 7.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.817 1.647 . . . . 0.0 112.367 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -101.27 -20.64 15.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 110.671 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' HE2' HD11 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -64.07 -53.71 45.47 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 119.901 1.228 . . . . 0.0 108.166 178.303 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.4 154.29 24.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 122.637 1.208 . . . . 0.0 110.437 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -120.46 179.6 4.26 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.226 1.811 . . . . 0.0 106.8 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -27.73 0.64 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.574 1.55 . . . . 0.0 114.023 -173.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -31.07 -61.32 0.19 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.996 2.118 . . . . 0.0 112.061 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -118.19 -25.79 6.53 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.988 1.715 . . . . 0.0 110.669 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.1 -31.96 71.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.245 1.418 . . . . 0.0 111.028 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -68.0 0.35 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 115.534 -2.174 . . . . 0.0 110.107 172.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' CD1' ' A' ' 85' ' ' LEU . 14.4 mt-10 -28.83 -61.95 0.12 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 125.815 1.947 . . . . 0.0 109.01 166.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -50.99 -66.8 0.32 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.381 1.446 . . . . 0.0 113.914 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -31.68 72.58 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.97 -1.706 . . . . 0.0 112.551 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 85' ' ' LEU . 3.8 tt -72.48 -62.01 1.59 Allowed 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.332 2.253 . . . . 0.0 109.628 -177.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -58.72 -31.25 68.1 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 128.805 2.842 . . . . 0.0 111.55 177.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.01 -56.31 13.84 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.584 1.154 . . . . 0.0 109.021 172.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.65 81.36 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.661 0.384 . . . . 0.0 110.495 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -55.87 -58.79 6.4 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.91 0.884 . . . . 0.0 110.508 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.83 64.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.758 -172.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.93 -71.97 0.16 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 172.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.56 106.29 0.08 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.432 1.893 . . . . 0.0 109.951 -176.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -148.06 -76.94 0.17 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.114 163.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.3 ttm-85 -159.81 146.1 16.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.032 1.287 . . . . 0.0 110.533 164.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 p -80.5 53.3 1.81 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.639 1.176 . . . . 0.0 112.466 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.7 m -157.94 -162.31 1.14 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 128.804 2.842 . . . . 0.0 106.892 175.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 p -118.25 146.25 44.42 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.91 1.284 . . . . 0.0 107.638 157.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.89 28.39 2.01 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.7 1.619 . . . . 0.0 111.347 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 58.06 94.68 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 129.038 2.935 . . . . 0.0 113.509 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 45.0 p -58.24 133.86 84.64 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.542 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.57 172.37 15.3 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.878 1.719 . . . . 0.0 112.952 -163.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.71 65.04 2.41 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.171 1.389 . . . . 0.0 110.689 174.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -83.68 159.46 60.83 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 158.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.03 -168.01 0.56 Allowed 'Trans proline' 0 N--CA 1.455 -0.756 1 C-N-CA 125.469 4.113 . . . . 0.0 109.723 160.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 48.98 56.71 7.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 127.073 2.149 . . . . 0.0 111.539 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 -170.73 3.09 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.492 1.917 . . . . 0.0 109.284 -175.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.26 5.7 t 60.61 -11.51 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 128.17 2.588 . . . . 0.0 116.131 173.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 m -134.8 145.46 48.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.717 1.144 . . . . 0.0 109.253 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.64 70.06 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 119.58 -0.566 . . . . 0.0 111.982 -169.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.3 ptp -68.06 -20.89 65.01 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -54.1 5.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.48 -33.44 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.352 1.061 . . . . 0.0 109.235 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.81 -56.6 17.66 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.252 1.021 . . . . 0.0 112.684 173.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -35.53 74.8 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.286 0.366 . . . . 0.0 110.44 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -35.37 78.87 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.969 0.508 . . . . 0.0 109.652 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tp -68.62 -45.11 72.78 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 120.587 -1.321 . . . . 0.0 110.228 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 63' ' ' ALA . 4.4 t -67.97 -23.25 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.945 0.898 . . . . 0.0 110.52 174.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.73 -30.28 40.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.556 -1.34 . . . . 0.0 111.405 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -78.61 -48.18 15.65 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.524 -1.36 . . . . 0.0 110.558 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 123' ' ' ARG . 71.8 m-85 -128.1 -36.66 1.94 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 117.23 -1.367 . . . . 0.0 113.672 -172.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.55 -121.76 5.21 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 119.468 1.031 . . . . 0.0 111.515 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -118.87 -23.61 6.89 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.639 -1.506 . . . . 0.0 112.045 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -73.74 -90.96 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.283 1.033 . . . . 0.0 108.365 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.457 ' HB3' ' CD2' ' A' ' 119' ' ' TYR . 1.5 mpp_? -59.9 -26.18 65.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.032 -1.042 . . . . 0.0 113.306 -173.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.76 -18.99 58.14 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.493 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.519 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -118.32 -51.96 2.4 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -45.92 -34.8 4.13 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.147 1.779 . . . . 0.0 114.503 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.03 -39.02 11.88 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 119.926 -1.734 . . . . 0.0 109.867 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 125' ' ' TRP . . . -52.51 -45.44 66.25 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.006 1.722 . . . . 0.0 111.541 174.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -57.8 -48.19 80.43 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.713 1.205 . . . . 0.0 110.275 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 0.6 OUTLIER -55.55 -34.56 64.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.103 0.961 . . . . 0.0 111.444 172.255 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.1 m -67.59 -27.99 67.38 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.452 -1.405 . . . . 0.0 110.25 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -68.95 -27.6 65.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.334 -0.854 . . . . 0.0 111.017 171.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.83 -35.81 75.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.317 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -58.77 -43.8 90.48 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.504 1.047 . . . . 0.0 110.226 170.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 50.4 mtp -74.66 -11.19 60.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.67 13.15 63.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.291 0.95 . . . . 0.0 114.539 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 HD12 ' A' ' 140' ' ' LEU 0.663 0.0 OUTLIER -118.5 63.41 0.77 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.886 1.843 . . . . 0.0 114.796 -179.047 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -55.66 -19.55 11.04 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 120.073 -1.642 . . . . 0.0 113.71 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.64 -46.84 5.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 120.387 1.449 . . . . 0.0 113.566 165.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.582 HD12 HD23 ' A' ' 137' ' ' LEU . 58.4 mt -72.05 -41.13 67.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -176.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 39.3 t -57.88 -42.17 84.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.306 1.442 . . . . 0.0 110.861 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.19 -70.28 0.22 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.16 2.184 . . . . 0.0 109.373 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.73 -35.54 61.3 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.63 1.104 . . . . 0.0 111.719 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.93 68.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 117.383 -1.294 . . . . 0.0 113.756 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -100.54 -24.8 14.38 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.769 1.622 . . . . 0.0 111.194 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.15 9.7 4.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.898 1.679 . . . . 0.0 111.431 -170.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 159.16 -23.17 0.31 Allowed Glycine 0 CA--C 1.521 0.436 0 C-N-CA 125.999 1.762 . . . . 0.0 111.929 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 65.5 -84.58 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 126.121 1.768 . . . . 0.0 112.151 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 174.02 165.78 31.16 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 127.013 2.244 . . . . 0.0 108.452 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -127.89 -89.94 0.52 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 174.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.447 -0.58 0 C-N-CA 128.496 2.718 . . . . 0.0 105.333 173.488 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 122.972 1.368 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.76 29.72 19.29 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.88 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.59 57.2 0.58 Allowed Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 -172.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -120.38 -46.15 0.37 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 125.732 1.634 . . . . 0.0 111.263 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.61 -17.15 49.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -102.7 -67.87 0.86 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.229 -168.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.35 -107.71 0.73 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.312 1.434 . . . . 0.0 111.695 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -29.53 3.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.327 1.851 . . . . 0.0 113.232 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -37.73 -48.15 1.05 Allowed 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 126.458 1.903 . . . . 0.0 112.367 173.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.04 -25.62 65.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 118.341 -0.838 . . . . 0.0 112.208 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.14 -38.09 66.39 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.539 1.063 . . . . 0.0 111.007 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -61.64 -15.45 39.82 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.252 1.021 . . . . 0.0 110.836 171.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 mt -118.96 13.27 13.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.782 2.033 . . . . 0.0 110.734 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -114.5 -26.74 7.8 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.001 1.72 . . . . 0.0 109.375 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -57.55 -31.1 65.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.871 0.468 . . . . 0.0 110.634 178.267 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.71 159.71 21.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.421 1.888 . . . . 0.0 109.659 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -124.46 -171.49 2.35 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.504 1.922 . . . . 0.0 107.216 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -11.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 126.451 1.9 . . . . 0.0 115.902 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -37.39 -55.87 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 125.658 1.583 . . . . 0.0 112.218 156.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -144.31 -18.33 0.56 Allowed 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 124.731 1.212 . . . . 0.0 110.936 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 tp -55.57 -34.83 65.13 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 119.471 -2.018 . . . . 0.0 111.29 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -62.64 1.7 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.451 1.9 . . . . 0.0 110.907 164.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.0 -34.44 42.72 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.624 1.102 . . . . 0.0 110.285 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -58.47 -60.05 4.41 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.35 0.977 . . . . 0.0 110.931 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -64.23 -14.49 55.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.001 0.819 . . . . 0.0 112.908 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -86.9 -61.74 1.66 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.816 1.246 . . . . 0.0 108.939 178.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.87 -21.01 62.83 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.944 1.298 . . . . 0.0 110.186 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.579 HD21 HD21 ' A' ' 115' ' ' LEU . 12.3 tp -58.22 -61.38 2.61 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.23 1.412 . . . . 0.0 108.991 173.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.41 -21.3 66.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -72.64 -25.66 61.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.306 1.042 . . . . 0.0 112.268 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -86.26 -41.49 14.55 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.241 166.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.63 168.14 3.94 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.865 0.841 . . . . 0.0 112.797 -172.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -133.69 -52.43 0.86 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.259 1.024 . . . . 0.0 111.951 -165.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -143.78 147.86 34.77 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.777 1.231 . . . . 0.0 111.083 -169.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 mtm105 -126.85 -103.63 0.34 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.319 1.448 . . . . 0.0 108.803 -175.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.44 74.89 1.6 Allowed 'General case' 0 C--O 1.233 0.213 0 N-CA-C 105.179 -2.156 . . . . 0.0 105.179 173.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.9 m 54.33 -175.44 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.859 0.864 . . . . 0.0 111.82 -160.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.81 95.09 0.87 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 161.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.96 7.6 10.06 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-O 118.418 -1.212 . . . . 0.0 113.913 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.85 135.21 56.82 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 118.883 1.341 . . . . 0.0 111.216 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.9 p -73.99 148.66 87.05 Favored Pre-proline 0 C--O 1.24 0.559 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 157.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.34 166.68 22.7 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.95 2.433 . . . . 0.0 111.874 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 66.8 152.41 0.07 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 129.182 2.993 . . . . 0.0 112.593 -170.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -75.23 138.14 71.92 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.467 -179.094 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.25 130.4 15.17 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 123.463 2.775 . . . . 0.0 110.42 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.83 73.01 4.89 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.485 1.114 . . . . 0.0 108.02 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -133.82 114.06 12.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 169.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.269 14.0 t -140.07 73.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 165.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -140.36 136.78 33.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.52 -54.76 30.68 Favored Glycine 0 CA--C 1.524 0.598 0 O-C-N 123.691 0.62 . . . . 0.0 111.913 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -17.19 64.55 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.037 1.335 . . . . 0.0 113.614 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -87.64 -60.34 2.0 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.4 t -54.41 -27.53 17.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.861 0.864 . . . . 0.0 109.269 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.76 -57.3 11.41 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.927 1.291 . . . . 0.0 114.224 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.9 t -55.17 -38.29 68.11 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.223 0.609 . . . . 0.0 109.793 174.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.32 -47.25 57.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.625 1.17 . . . . 0.0 109.721 -171.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.579 HD21 HD21 ' A' ' 86' ' ' LEU . 7.9 mt -60.71 -48.92 79.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 119.186 0.903 . . . . 0.0 110.445 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -38.19 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.836 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.19 71.69 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.867 0.758 . . . . 0.0 110.941 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.451 ' HA ' HE21 ' A' ' 118' ' ' GLN . 1.9 mm-40 -68.26 -60.68 2.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.496 1.118 . . . . 0.0 111.607 -172.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -93.92 -19.24 21.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.247 -166.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.42 168.51 44.29 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -161.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.05 -29.04 67.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -160.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.14 -71.06 0.19 Allowed 'General case' 0 C--N 1.343 0.323 0 CA-C-N 120.201 1.364 . . . . 0.0 110.524 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -59.04 -25.42 63.69 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.111 1.364 . . . . 0.0 110.375 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.57 -13.02 18.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.467 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -121.08 -50.46 2.15 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 124.139 0.975 . . . . 0.0 110.216 161.075 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -55.85 -21.69 21.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 129.651 3.18 . . . . 0.0 115.546 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -48.23 4.75 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.059 1.344 . . . . 0.0 108.252 169.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.5 -46.59 13.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.249 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -57.58 -42.77 83.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 125.331 1.452 . . . . 0.0 111.547 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.09 -44.59 97.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.7 m -58.71 -22.36 57.23 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.79 -0.569 . . . . 0.0 111.965 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.406 ' CZ2' HD12 ' A' ' 140' ' ' LEU . 7.3 m0 -72.86 -29.71 63.41 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.809 -1.182 . . . . 0.0 112.376 173.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -30.57 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.739 0.7 . . . . 0.0 110.293 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -83.6 -29.71 27.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.579 1.552 . . . . 0.0 112.177 175.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.91 -33.36 75.43 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.949 1.25 . . . . 0.0 112.11 170.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 114.12 -1.81 24.05 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 117.796 -1.558 . . . . 0.0 114.136 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.428 ' HB3' HD23 ' A' ' 140' ' ' LEU . 16.1 mt -101.9 86.15 2.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 119.363 1.581 . . . . 0.0 109.001 -154.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -46.95 87.77 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 t -59.52 -37.14 77.57 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.547 0.739 . . . . 0.0 110.769 -173.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.443 HD21 ' CE2' ' A' ' 73' ' ' PHE . 1.9 mm? -64.0 -51.11 65.81 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.63 0.772 . . . . 0.0 109.454 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.81 -45.92 91.76 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.067 0.547 . . . . 0.0 110.721 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.74 64.25 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.572 1.149 . . . . 0.0 109.221 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -63.06 -11.07 16.98 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.693 -1.255 . . . . 0.0 112.741 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -96.74 -5.59 38.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.524 -1.36 . . . . 0.0 113.379 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -148.67 49.99 1.0 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.223 1.809 . . . . 0.0 109.946 -175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -141.54 20.87 2.2 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.639 1.976 . . . . 0.0 112.505 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.51 11.35 38.7 Favored Glycine 0 CA--C 1.523 0.552 0 O-C-N 120.737 -1.227 . . . . 0.0 112.521 175.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.82 79.84 1.6 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.101 1.361 . . . . 0.0 108.821 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 114.59 -95.4 0.72 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 125.501 1.524 . . . . 0.0 109.538 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 45.8 m170 54.75 -178.87 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.76 1.624 . . . . 0.0 112.166 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.235 0.307 0 C-N-CA 127.914 2.486 . . . . 0.0 107.288 167.677 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.829 0.347 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.18 179.98 2.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.242 1.817 . . . . 0.0 111.962 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.33 2.83 55.66 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.444 1.021 . . . . 0.0 111.663 -165.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.87 67.14 1.6 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -158.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . 61.36 27.89 17.44 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 117.646 2.461 . . . . 0.0 117.646 156.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 -117.3 -178.31 3.42 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 168.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.2 -107.4 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.5 mmt-85 -61.86 -8.95 5.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.612 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' A' ' 125' ' ' TRP . 6.6 mt -42.07 -55.7 3.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.567 1.147 . . . . 0.0 109.968 166.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.87 0.45 7.24 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 8.3 t -93.31 -46.55 7.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.169 1.388 . . . . 0.0 109.33 167.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' HB3' HD12 ' A' ' 140' ' ' LEU . 16.3 m-85 -61.32 -46.51 89.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.784 0.834 . . . . 0.0 109.738 176.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.11 6.77 2.51 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.719 1.208 . . . . 0.0 112.026 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.46 17.09 6.49 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.528 2.731 . . . . 0.0 108.681 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -79.81 -60.31 2.4 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 151.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 122.094 0.949 . . . . 0.0 112.362 -169.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -131.63 -161.25 1.11 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.646 1.578 . . . . 0.0 109.729 -176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' H ' ' HD2' ' A' ' 76' ' ' LYS . 7.4 mptt -59.3 -21.17 59.28 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.867 1.212 . . . . 0.0 111.901 -172.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -45.62 -58.36 3.48 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.508 1.123 . . . . 0.0 109.531 167.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -124.53 -31.7 3.21 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.28 0.632 . . . . 0.0 110.274 -156.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -57.46 -42.01 81.71 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -47.42 60.11 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 116.823 -1.56 . . . . 0.0 109.171 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.86 -54.38 29.79 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.852 1.206 . . . . 0.0 109.379 170.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.02 -12.11 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -44.5 14.46 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.577 1.08 . . . . 0.0 108.29 169.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.59 -54.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.168 1.787 . . . . 0.0 110.262 -170.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.15 -22.62 63.09 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.267 1.027 . . . . 0.0 110.489 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -59.38 3.76 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.636 1.575 . . . . 0.0 107.784 173.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.3 72.84 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.0 0.364 . . . . 0.0 110.401 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.56 -42.28 99.44 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.303 1.041 . . . . 0.0 109.783 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -62.59 -76.53 0.06 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.673 1.189 . . . . 0.0 108.777 173.087 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 39.21 -168.73 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.805 2.442 . . . . 0.0 113.229 -166.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -150.97 -35.42 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.506 -1.371 . . . . 0.0 111.438 176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 m -151.94 147.58 26.73 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.377 2.271 . . . . 0.0 106.168 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.72 -87.14 0.31 Allowed 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 158.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.0 m -141.84 -171.23 3.3 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.114 2.166 . . . . 0.0 107.584 170.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -59.01 -179.62 0.07 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.318 1.447 . . . . 0.0 111.983 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.9 p -38.38 90.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.922 2.489 . . . . 0.0 114.744 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.8 43.13 1.38 Allowed Glycine 0 C--N 1.334 0.434 0 CA-C-O 119.057 -0.857 . . . . 0.0 111.652 -165.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -62.53 121.35 13.09 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.963 0.881 . . . . 0.0 109.784 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -166.42 157.08 11.08 Favored Pre-proline 0 C--O 1.239 0.531 0 C-N-CA 127.195 2.198 . . . . 0.0 107.843 173.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.54 154.07 35.12 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.749 2.3 . . . . 0.0 110.584 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.16 160.74 11.98 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.29 -0.881 . . . . 0.0 111.329 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -136.98 149.14 65.61 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 124.787 1.235 . . . . 0.0 110.933 -171.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.2 160.47 23.33 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.889 3.059 . . . . 0.0 112.453 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -113.27 13.92 19.23 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.996 0.919 . . . . 0.0 112.762 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.02 160.53 17.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.948 0.499 . . . . 0.0 110.824 176.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -139.02 -21.09 0.96 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.11 161.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m -124.92 150.11 46.9 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.94 1.245 . . . . 0.0 111.032 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.35 -21.2 68.27 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.941 1.257 . . . . 0.0 113.679 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.1 ptp -62.33 -30.47 71.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.611 0.705 . . . . 0.0 112.719 168.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -22.1 14.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.579 0.627 . . . . 0.0 110.968 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.92 -35.5 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 O-C-N 120.974 -1.079 . . . . 0.0 110.118 168.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.99 77.4 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.48 80.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.206 0.603 . . . . 0.0 111.128 173.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -44.38 87.36 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.586 0.754 . . . . 0.0 109.169 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.71 -38.65 80.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.751 -1.218 . . . . 0.0 112.046 -173.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 63' ' ' ALA . 63.4 t -65.72 -28.33 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 118.527 0.603 . . . . 0.0 109.668 173.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.89 -48.3 59.22 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.731 1.15 . . . . 0.0 110.657 169.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -59.89 -42.88 94.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 112.579 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -138.23 -8.06 1.54 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.44 161.04 10.96 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-N 120.763 1.62 . . . . 0.0 110.83 -164.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.63 -23.25 64.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.509 1.524 . . . . 0.0 114.477 -166.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -57.9 -75.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.582 1.153 . . . . 0.0 109.842 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -28.27 67.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.48 -173.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.93 47.93 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.531 -0.747 . . . . 0.0 112.585 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.67 ' CD1' HD11 ' A' ' 129' ' ' LEU . 2.0 t-105 -115.94 -42.53 3.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.195 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.08 -42.75 39.89 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.188 -1.57 . . . . 0.0 112.318 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -36.88 46.7 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.49 0.662 . . . . 0.0 110.896 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.26 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.544 1.938 . . . . 0.0 111.798 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.67 HD11 ' CD1' ' A' ' 125' ' ' TRP . 4.5 mt -56.11 -43.94 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 126.074 1.75 . . . . 0.0 109.915 -175.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -61.91 -41.37 97.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.219 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.1 m -57.35 -22.58 43.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 111.183 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -75.88 -14.34 60.27 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.356 -1.465 . . . . 0.0 112.897 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.27 -22.8 61.16 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.722 1.147 . . . . 0.0 111.437 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.92 -58.27 6.59 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 167.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 26.2 mtp -81.03 -17.58 49.75 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -162.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.23 13.0 29.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 120.01 1.277 . . . . 0.0 114.696 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.421 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.3 mm? -97.76 64.48 1.77 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 120.966 -1.314 . . . . 0.0 110.94 -168.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -59.26 -48.27 82.26 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 m -63.92 -15.46 59.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.422 HD11 ' CD2' ' A' ' 73' ' ' PHE . 3.9 mm? -77.9 -50.13 12.82 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.881 1.218 . . . . 0.0 109.372 169.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.9 -32.17 70.51 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.768 0.827 . . . . 0.0 111.392 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.51 -72.13 0.14 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 108.471 168.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -45.68 -45.07 13.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.935 1.294 . . . . 0.0 113.357 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.37 -22.38 4.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.397 1.479 . . . . 0.0 114.074 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -128.87 3.51 5.38 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.039 2.536 . . . . 0.0 110.454 -168.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -132.33 64.43 1.6 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-O 123.616 1.674 . . . . 0.0 110.182 -168.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.67 -2.07 39.22 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 114.427 -1.26 . . . . 0.0 113.257 172.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 25.5 -94.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 130.04 3.336 . . . . 0.0 113.324 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 155.62 94.25 0.1 Allowed Glycine 0 C--N 1.337 0.605 0 CA-C-O 119.913 -0.382 . . . . 0.0 112.223 172.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 61.6 m80 65.31 161.89 0.14 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.258 3.023 . . . . 0.0 113.053 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 126.932 2.093 . . . . 0.0 110.389 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.9 mtp . . . . . 0 C--O 1.234 0.259 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.21 158.43 24.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.806 0.843 . . . . 0.0 111.153 173.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 135.8 -166.26 24.63 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 106.68 -2.568 . . . . 0.0 106.68 -177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.17 -33.01 86.08 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 116.961 -2.022 . . . . 0.0 114.898 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . 154.74 49.97 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.784 2.434 . . . . 0.0 110.941 -166.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -153.25 143.17 22.12 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.952 1.701 . . . . 0.0 108.974 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 -90.9 0.3 Allowed Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 163.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.31 -10.85 26.75 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.153 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tp -50.36 -49.38 54.36 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.191 1.359 . . . . 0.0 110.045 163.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.0 66.51 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -61.99 -39.58 92.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.227 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -72.64 0.47 10.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.835 1.254 . . . . 0.0 113.306 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.46 16.09 14.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.061 0.846 . . . . 0.0 111.689 -171.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.08 -18.46 10.05 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.831 0.852 . . . . 0.0 112.23 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -68.19 -45.25 73.92 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 170.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.97 156.31 26.01 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.041 1.401 . . . . 0.0 110.523 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -126.33 -177.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 126.208 1.803 . . . . 0.0 107.63 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.9 -16.24 16.63 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.974 -165.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.91 -61.1 2.23 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 119.594 1.088 . . . . 0.0 109.655 165.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.39 -31.69 10.81 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.662 0.785 . . . . 0.0 110.501 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.0 -40.94 81.99 Favored 'General case' 0 C--N 1.338 0.085 0 O-C-N 120.82 -1.175 . . . . 0.0 109.23 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -69.76 -51.25 35.69 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.32 -46.07 69.3 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 118.95 0.796 . . . . 0.0 110.932 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CE2' ' HB ' ' A' ' 131' ' ' THR . 31.0 t80 -53.95 -56.05 21.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 119.587 1.085 . . . . 0.0 111.503 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -63.07 -33.71 76.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.395 0.678 . . . . 0.0 112.177 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.66 -61.24 1.86 Allowed 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.114 -1.616 . . . . 0.0 108.682 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.5 mt -57.17 -49.01 77.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.003 2.121 . . . . 0.0 109.913 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 86' ' ' LEU . 5.5 tt -59.74 -50.87 72.16 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.048 1.295 . . . . 0.0 109.907 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.95 69.7 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.387 -0.821 . . . . 0.0 111.799 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -66.5 -47.6 72.46 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.452 1.024 . . . . 0.0 109.866 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -50.57 -57.55 7.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.954 2.102 . . . . 0.0 110.171 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.28 -20.48 63.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.51 1.124 . . . . 0.0 112.584 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . 0.257 2.9 p80 27.75 -126.65 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 128.094 2.558 . . . . 0.0 111.41 -167.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 24.41 77.84 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 C-N-CA 129.61 3.164 . . . . 0.0 114.884 160.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -135.83 59.91 1.7 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 156.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.5 m 49.13 -157.28 0.07 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.44 1.496 . . . . 0.0 112.961 168.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.1 m -55.44 150.39 11.83 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.297 1.039 . . . . 0.0 110.169 169.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.7 m -71.32 179.26 2.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.962 1.305 . . . . 0.0 110.708 173.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.78 -29.04 0.03 OUTLIER Glycine 0 CA--C 1.524 0.64 0 CA-C-O 117.103 -1.943 . . . . 0.0 113.697 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 43.41 94.41 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.929 2.492 . . . . 0.0 114.775 168.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.2 p -68.89 162.06 67.25 Favored Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 120.789 -1.194 . . . . 0.0 113.483 -167.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.61 -170.62 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.683 2.922 . . . . 0.0 110.904 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 65.76 173.27 0.23 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 127.72 2.408 . . . . 0.0 111.559 -167.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -68.09 128.69 93.25 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.2 141.22 35.49 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.323 2.016 . . . . 0.0 110.789 -164.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.42 59.2 1.06 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.769 2.428 . . . . 0.0 111.259 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -133.92 173.98 10.97 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 125.622 1.569 . . . . 0.0 110.612 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.411 0.0 OUTLIER 65.6 -26.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 129.973 3.309 . . . . 0.0 114.152 176.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.41 137.42 32.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 169.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.27 -56.94 14.78 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 124.66 1.124 . . . . 0.0 112.536 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 ptp -60.49 -30.82 69.95 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -29.27 64.09 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.145 0.884 . . . . 0.0 110.882 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.03 -24.96 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 121.546 -0.721 . . . . 0.0 109.793 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.37 -48.84 71.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.786 1.175 . . . . 0.0 110.112 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.4 m -55.77 -31.18 62.36 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.602 0.761 . . . . 0.0 111.742 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -46.63 13.7 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.297 0.953 . . . . 0.0 111.745 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.3 mt -68.44 -44.02 75.8 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.703 1.138 . . . . 0.0 111.398 -171.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 63' ' ' ALA . 22.1 t -64.66 -28.33 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 118.701 0.682 . . . . 0.0 109.756 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.76 -12.6 59.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -90.31 -46.21 8.55 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.523 1.056 . . . . 0.0 110.407 167.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -120.28 -16.73 8.41 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -156.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.52 172.72 3.04 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-O 123.286 1.492 . . . . 0.0 111.063 -164.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -12.91 1.21 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.616 2.366 . . . . 0.0 114.362 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -75.21 -87.99 0.03 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 120.345 1.43 . . . . 0.0 110.136 167.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -67.44 -15.9 63.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.408 -169.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.64 -11.07 14.72 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 121.068 1.758 . . . . 0.0 112.554 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -51.83 2.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 123.359 0.664 . . . . 0.0 110.636 164.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -35.81 62.82 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -169.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.98 -48.89 11.64 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.18 59.37 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.962 1.305 . . . . 0.0 112.347 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.86 -49.18 20.62 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.75 2.02 . . . . 0.0 111.917 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.444 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 0.7 OUTLIER -57.18 -36.0 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.913 -0.492 . . . . 0.0 110.857 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.414 ' HB ' ' CE2' ' A' ' 82' ' ' PHE . 30.7 m -68.26 -21.46 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.22 -0.925 . . . . 0.0 110.411 -168.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -67.12 -35.54 79.99 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.752 -0.593 . . . . 0.0 111.242 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.87 -43.86 97.67 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -48.07 83.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.388 1.475 . . . . 0.0 111.595 177.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.416 ' HB3' HD23 ' A' ' 137' ' ' LEU . 9.3 mtm -76.05 -10.28 59.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.099 0.863 . . . . 0.0 112.995 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.41 88.84 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.345 -1.253 . . . . 0.0 114.72 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 135' ' ' MET . 4.4 mm? -79.01 83.2 5.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.866 1.833 . . . . 0.0 109.682 -170.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -63.33 -48.28 78.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.553 -174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -32.39 72.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.449 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 73' ' ' PHE . 89.3 mt -62.15 -48.56 79.54 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.683 1.583 . . . . 0.0 110.416 173.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -34.49 75.6 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.571 0.349 . . . . 0.0 110.719 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.29 50.81 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.522 1.129 . . . . 0.0 108.916 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -59.93 -25.48 65.2 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.079 1.352 . . . . 0.0 111.928 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.65 60.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.483 1.113 . . . . 0.0 113.551 172.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -137.28 3.25 2.59 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.591 1.542 . . . . 0.0 112.302 -169.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -132.99 -0.26 3.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.733 -1.229 . . . . 0.0 113.786 -167.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 57.81 32.98 66.75 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 123.92 0.771 . . . . 0.0 112.537 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.22 73.54 3.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 169.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -104.9 177.55 23.42 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 168.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -90.09 -175.88 4.7 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 167.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 156.869 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 122.941 1.353 . . . . 0.0 114.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.83 107.38 16.41 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 126.471 1.908 . . . . 0.0 107.352 167.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.37 -169.58 2.5 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 125.005 1.288 . . . . 0.0 111.919 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.72 -43.61 60.05 Favored Glycine 0 CA--C 1.528 0.87 0 O-C-N 122.077 -0.66 . . . . 0.0 112.125 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -176.72 44.9 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.482 1.513 . . . . 0.0 108.997 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -138.19 -63.04 0.57 Allowed 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.51 0.724 . . . . 0.0 109.177 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.61 -107.39 2.19 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 171.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.71 -18.5 65.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 117.058 -1.448 . . . . 0.0 112.16 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.45 -44.11 62.28 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 110.626 -169.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.6 -38.37 45.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.576 1.55 . . . . 0.0 113.292 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.61 -43.78 93.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.735 1.214 . . . . 0.0 110.939 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -66.02 -26.31 67.47 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.196 -0.94 . . . . 0.0 110.668 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.7 mt -93.66 8.93 38.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.677 1.991 . . . . 0.0 111.687 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -112.12 -19.69 12.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.137 1.375 . . . . 0.0 111.786 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -53.87 39.64 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -82.37 151.62 26.58 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.539 1.135 . . . . 0.0 109.817 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -119.63 -176.91 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 125.803 1.641 . . . . 0.0 108.376 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -37.05 0.66 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.595 1.558 . . . . 0.0 114.676 -174.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -25.22 -63.63 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.276 2.63 . . . . 0.0 112.149 164.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -120.22 -17.79 8.19 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.568 1.076 . . . . 0.0 111.504 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.83 -20.71 62.21 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.688 -1.258 . . . . 0.0 111.48 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -55.62 5.76 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 117.039 -1.457 . . . . 0.0 111.564 164.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -52.94 -48.04 67.62 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.144 0.884 . . . . 0.0 109.463 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.424 ' CE2' ' HB ' ' A' ' 131' ' ' THR . 52.7 t80 -51.37 -60.54 3.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.134 0.425 . . . . 0.0 112.146 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.49 -26.15 65.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.853 0.751 . . . . 0.0 112.372 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -54.96 4.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.728 1.211 . . . . 0.0 110.047 -177.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.99 -28.56 62.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.37 0.668 . . . . 0.0 109.326 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 127' ' ' LEU . 7.8 tt -69.35 -53.35 19.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.78 95.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.772 0.429 . . . . 0.0 110.626 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.09 -37.11 83.81 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.864 0.302 . . . . 0.0 110.589 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 130' ' ' HIS . 15.3 tppt? -68.92 -46.0 69.42 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.952 1.301 . . . . 0.0 109.894 175.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.99 91.67 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.704 0.802 . . . . 0.0 113.113 -176.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . 0.277 0.1 OUTLIER 30.95 -158.64 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.169 2.987 . . . . 0.0 114.318 -160.542 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -51.93 164.68 0.25 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.78 2.432 . . . . 0.0 112.548 169.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.32 -15.53 60.95 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.286 -0.884 . . . . 0.0 112.972 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 t -144.41 169.22 18.35 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.332 1.853 . . . . 0.0 106.892 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.2 t -44.6 -72.08 0.07 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.555 1.942 . . . . 0.0 111.696 -170.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.3 m 46.82 -158.37 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.145 1.378 . . . . 0.0 111.409 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -166.27 11.0 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 O-C-N 120.216 -1.553 . . . . 0.0 114.423 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.93 163.0 28.48 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 118.491 1.145 . . . . 0.0 109.879 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -77.99 142.22 64.26 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -168.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.43 166.46 29.74 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 123.308 2.672 . . . . 0.0 110.852 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.3 166.21 31.65 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.759 0.823 . . . . 0.0 111.007 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -140.06 149.66 59.31 Favored Pre-proline 0 N--CA 1.443 -0.812 0 C-N-CA 124.456 1.102 . . . . 0.0 110.266 170.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -80.27 -166.38 0.41 Allowed 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 125.291 3.994 . . . . 0.0 111.476 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -110.5 65.84 0.62 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.222 1.809 . . . . 0.0 109.237 -176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -146.5 116.56 7.34 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.691 1.196 . . . . 0.0 108.847 -168.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -145.29 17.98 1.54 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -175.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.7 m -116.74 139.35 50.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.068 -1.645 . . . . 0.0 110.899 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -44.71 -54.24 6.77 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 126.829 2.157 . . . . 0.0 113.942 -166.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.4 ptm -65.16 -27.69 68.89 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.684 0.742 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.9 -28.4 22.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.437 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.7 t -68.05 -36.53 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 120.342 1.428 . . . . 0.0 107.203 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.91 40.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 112.719 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -61.79 -24.89 67.14 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.394 -0.816 . . . . 0.0 112.335 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -77.81 -37.47 48.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.852 1.261 . . . . 0.0 110.662 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.12 -39.94 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 119.942 -1.724 . . . . 0.0 111.049 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.27 -26.37 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 121.891 -0.505 . . . . 0.0 110.221 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.94 68.82 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.303 -0.873 . . . . 0.0 110.309 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.1 -46.56 90.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.634 0.774 . . . . 0.0 110.764 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -123.45 -64.0 1.19 Allowed 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.06 173.15 14.31 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 -160.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -50.59 15.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.325 1.85 . . . . 0.0 111.436 -167.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.25 -72.24 0.08 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.483 1.113 . . . . 0.0 111.344 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -71.53 -22.43 61.77 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.122 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.71 -17.5 63.07 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.106 1.321 . . . . 0.0 111.025 172.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -111.76 -50.6 2.91 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 119.428 1.013 . . . . 0.0 112.669 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -50.68 -47.68 58.77 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.752 1.615 . . . . 0.0 111.903 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 86' ' ' LEU . 1.4 tt -70.7 -33.91 71.38 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -175.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.53 -46.19 76.97 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 118.696 -0.669 . . . . 0.0 111.015 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -48.27 70.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 124.614 1.166 . . . . 0.0 110.334 175.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' NE2' ' HE3' ' A' ' 89' ' ' LYS . 36.0 t60 -53.32 -51.73 61.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.846 0.748 . . . . 0.0 110.543 171.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.424 ' HB ' ' CE2' ' A' ' 82' ' ' PHE . 28.8 m -65.28 -26.46 68.09 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.537 -0.727 . . . . 0.0 110.932 -169.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -66.65 -33.63 76.08 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.098 -1.001 . . . . 0.0 111.246 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -19.06 65.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 124.353 1.061 . . . . 0.0 111.32 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.22 -17.69 51.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.692 1.197 . . . . 0.0 111.597 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 31.9 mtp -111.66 -11.08 14.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.396 1.079 . . . . 0.0 112.163 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.85 28.04 57.5 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.653 -1.082 . . . . 0.0 113.208 176.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.07 81.68 5.59 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.255 2.027 . . . . 0.0 109.898 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -54.44 -45.27 73.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 117.531 -1.223 . . . . 0.0 112.587 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.6 p -62.53 -27.89 69.47 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.965 1.257 . . . . 0.0 111.79 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 37.5 mt -68.56 -55.35 11.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.732 0.696 . . . . 0.0 109.348 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.74 -44.74 81.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.172 0.442 . . . . 0.0 111.606 176.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.5 -61.0 2.74 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.1 1.36 . . . . 0.0 109.32 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -56.07 -38.19 70.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 120.091 1.314 . . . . 0.0 111.155 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.98 5.93 0.59 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.527 1.131 . . . . 0.0 114.026 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -138.67 -16.61 1.14 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.477 1.911 . . . . 0.0 112.243 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -82.99 78.15 9.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 127.917 2.487 . . . . 0.0 107.463 -169.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.0 7.86 83.15 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 113.374 -1.739 . . . . 0.0 113.568 163.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -135.65 -96.68 0.24 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 165.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 68.24 -87.66 0.19 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 125.821 1.677 . . . . 0.0 113.395 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -145.49 -68.35 0.29 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 126.737 2.015 . . . . 0.0 111.361 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 ptp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.96 170.88 15.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.579 1.552 . . . . 0.0 108.086 165.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -119.83 112.97 2.35 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 104.862 -3.295 . . . . 0.0 104.862 170.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.82 92.67 0.29 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 108.07 -2.012 . . . . 0.0 108.07 -171.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 55.65 35.03 24.45 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.929 1.017 . . . . 0.0 111.723 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -139.08 167.77 21.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 167.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.78 -94.92 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -59.98 -22.15 62.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.716 0.807 . . . . 0.0 112.162 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -43.74 -49.63 7.9 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 125.496 1.518 . . . . 0.0 110.361 172.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.81 -28.97 67.91 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 117.357 -1.306 . . . . 0.0 111.485 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.3 t -58.88 -57.06 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 121.364 1.893 . . . . 0.0 109.989 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -60.92 -15.79 34.97 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.25 1.02 . . . . 0.0 111.983 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.94 1.57 22.7 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.503 2.321 . . . . 0.0 111.613 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -107.6 -17.56 14.07 Favored 'General case' 0 C--O 1.23 0.079 0 C-N-CA 126.058 1.743 . . . . 0.0 110.391 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -70.97 -32.44 69.29 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.474 1.034 . . . . 0.0 111.567 179.322 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -102.74 160.39 14.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.588 1.555 . . . . 0.0 111.244 -175.204 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -124.14 -170.6 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -30.63 39.67 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.864 -166.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -27.2 -54.39 0.08 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.941 2.496 . . . . 0.0 111.499 167.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.401 ' CB ' HD12 ' A' ' 74' ' ' LEU . 35.8 mm-40 -123.46 -31.17 3.55 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.267 1.427 . . . . 0.0 109.853 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.91 -36.54 77.21 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 119.67 -1.894 . . . . 0.0 112.376 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -64.01 -47.17 81.33 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.011 175.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.71 -48.38 81.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.601 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -47.23 -60.61 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.411 1.084 . . . . 0.0 110.659 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.76 -20.57 65.24 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -51.73 4.95 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.362 1.065 . . . . 0.0 111.071 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.45 -27.62 62.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.215 1.406 . . . . 0.0 109.376 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.22 -55.08 15.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.264 1.426 . . . . 0.0 109.943 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.01 64.25 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.016 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -79.61 -42.66 24.46 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.336 1.054 . . . . 0.0 110.685 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -48.67 67.59 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 125.185 1.394 . . . . 0.0 110.194 175.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.22 -66.75 0.4 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.654 0.781 . . . . 0.0 109.058 167.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.82 165.05 0.13 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.678 1.991 . . . . 0.0 110.597 -159.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 t -161.86 -57.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 166.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.83 127.28 0.0 OUTLIER 'General case' 0 C--N 1.339 0.128 0 C-N-CA 127.312 2.245 . . . . 0.0 110.51 -154.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -108.31 -58.01 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 161.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.8 p -152.12 -179.68 7.72 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.451 1.9 . . . . 0.0 108.135 169.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.2 m 58.39 -176.58 0.08 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.675 1.19 . . . . 0.0 112.804 -175.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.42 -90.41 1.21 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 106.477 -2.649 . . . . 0.0 106.477 154.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.07 161.38 30.23 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.701 0.762 . . . . 0.0 112.717 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.7 p -64.54 150.92 92.91 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.147 0.979 . . . . 0.0 111.89 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -75.76 171.25 18.55 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.647 2.232 . . . . 0.0 109.817 170.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.52 -164.9 0.12 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 122.441 1.115 . . . . 0.0 111.754 171.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -100.42 143.73 27.09 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 114.309 -1.314 . . . . 0.0 108.775 166.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.04 178.55 4.02 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.675 3.583 . . . . 0.0 111.034 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -107.75 14.98 25.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 148.42 31.68 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.03 -174.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . 0.284 0.7 OUTLIER -144.3 -53.34 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 160.636 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -129.88 154.92 46.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.84 0.712 . . . . 0.0 109.297 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.52 88.29 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.563 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.4 ptp -60.42 -36.44 78.18 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.908 1.354 . . . . 0.0 112.33 175.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.85 -39.25 18.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.328 1.051 . . . . 0.0 109.949 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -28.15 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 167.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.52 67.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.95 0.795 . . . . 0.0 111.801 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -42.34 69.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.849 0.86 . . . . 0.0 110.832 174.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -38.25 87.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -89.41 -35.21 16.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.802 -0.618 . . . . 0.0 112.404 -170.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.81 -26.36 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.187 0.903 . . . . 0.0 109.214 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.56 74.01 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.285 0.948 . . . . 0.0 111.471 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -60.66 -48.26 82.56 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.671 0.788 . . . . 0.0 111.442 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -113.36 -73.28 0.67 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.988 0.915 . . . . 0.0 110.777 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.89 7.85 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 106.559 -2.617 . . . . 0.0 106.559 -160.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -16.02 59.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.689 1.744 . . . . 0.0 113.952 -165.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -54.99 -83.84 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.566 1.546 . . . . 0.0 109.066 166.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -22.55 60.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 121.458 -0.777 . . . . 0.0 111.872 -173.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -18.44 65.32 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.518 1.054 . . . . 0.0 111.152 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.405 ' HE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -106.19 -59.09 1.83 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 116.978 -1.486 . . . . 0.0 110.288 171.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -44.53 -45.3 9.25 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.098 1.772 . . . . 0.0 113.81 -175.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.15 -35.68 59.1 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.047 1.403 . . . . 0.0 109.466 -173.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.18 -26.47 56.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.722 2.009 . . . . 0.0 112.214 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.44 -62.37 1.91 Allowed 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -46.5 -41.94 14.87 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 124.208 0.943 . . . . 0.0 111.069 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.5 m -56.65 -14.38 3.2 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.714 1.206 . . . . 0.0 113.457 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.401 ' CD1' ' C ' ' A' ' 132' ' ' TRP . 0.5 OUTLIER -52.25 -35.0 48.65 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.806 1.185 . . . . 0.0 111.297 170.216 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -31.87 73.15 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 126.013 1.725 . . . . 0.0 110.095 -170.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -78.95 -32.9 45.65 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.382 1.073 . . . . 0.0 111.544 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.415 ' HE2' HD11 ' A' ' 137' ' ' LEU . 83.4 mtp -85.88 -32.78 21.48 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.759 -1.213 . . . . 0.0 112.902 -178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.63 -21.67 36.07 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.86 1.695 . . . . 0.0 113.523 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.415 HD11 ' HE2' ' A' ' 135' ' ' MET 0.575 0.0 OUTLIER -79.13 63.75 3.86 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.188 1.494 . . . . 0.0 114.534 -178.82 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.14 -58.44 7.65 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.528 -1.225 . . . . 0.0 112.017 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -41.33 62.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.61 1.164 . . . . 0.0 111.159 -170.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.652 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -41.24 -61.84 0.95 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 128.284 2.634 . . . . 0.0 111.801 174.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 95.2 m -91.23 -39.06 12.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 112.375 -2.193 . . . . 0.0 107.397 -163.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.77 -55.29 6.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.008 0.923 . . . . 0.0 108.802 167.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -54.83 -19.85 7.4 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.405 ' HB1' ' HE1' ' A' ' 125' ' ' TRP . . . -67.22 -12.83 61.1 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.581 -1.324 . . . . 0.0 113.447 172.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -167.0 53.14 0.08 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.101 2.161 . . . . 0.0 111.482 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -151.98 99.24 2.53 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.134 2.173 . . . . 0.0 109.132 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.7 -27.54 1.89 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.194 0.902 . . . . 0.0 113.911 163.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.42 -142.09 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 127.451 2.3 . . . . 0.0 107.851 162.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -73.86 165.08 54.83 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 173.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . 0.264 0.6 OUTLIER 64.91 179.61 0.18 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 128.048 2.539 . . . . 0.0 111.81 -164.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 46.3 p . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 122.955 0.502 . . . . 0.0 110.253 -173.739 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.465 0.295 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.02 123.01 25.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.902 1.281 . . . . 0.0 109.731 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.12 -39.47 0.05 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 107.975 -2.05 . . . . 0.0 107.975 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.07 -63.22 0.16 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 107.544 -2.222 . . . . 0.0 107.544 160.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . -153.38 31.62 0.47 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.362 1.065 . . . . 0.0 112.063 -171.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -131.23 -165.43 1.56 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.928 1.291 . . . . 0.0 108.022 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.87 -94.13 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 174.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -47.56 -30.21 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 127.104 2.162 . . . . 0.0 114.596 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.76 -28.48 56.2 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.838 0.855 . . . . 0.0 111.57 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.97 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.568 -0.73 . . . . 0.0 111.001 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 91.7 m -60.6 -38.05 83.4 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.687 0.676 . . . . 0.0 110.569 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.16 -48.07 77.43 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -78.74 15.49 1.04 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.955 1.302 . . . . 0.0 113.399 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.32 -15.78 9.7 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.877 1.271 . . . . 0.0 110.914 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CE1' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -60.4 -50.25 74.32 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.986 -1.071 . . . . 0.0 108.803 174.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.96 166.06 20.18 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 127.988 2.515 . . . . 0.0 109.945 170.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -132.54 -163.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 126.309 1.843 . . . . 0.0 106.17 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -62.56 -2.34 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.59 -48.05 39.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.488 1.04 . . . . 0.0 110.567 157.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.68 -16.32 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.766 1.166 . . . . 0.0 112.155 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.6 tp -49.17 -43.51 42.07 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.665 1.575 . . . . 0.0 110.734 169.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -61.8 -54.57 40.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.998 1.319 . . . . 0.0 108.66 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.41 -48.81 71.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.918 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.75 -48.39 81.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.28 0.945 . . . . 0.0 110.386 -177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.9 -37.51 79.6 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.023 -1.048 . . . . 0.0 111.348 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -83.68 -47.06 11.61 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.857 0.863 . . . . 0.0 112.508 -172.129 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.56 -26.54 68.63 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 116.636 -1.65 . . . . 0.0 108.116 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 86' ' ' LEU . 5.3 tt -72.67 -50.78 22.71 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.21 1.368 . . . . 0.0 108.051 175.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.33 64.02 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.564 0.62 . . . . 0.0 110.958 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -71.43 -46.75 59.3 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.53 -0.731 . . . . 0.0 111.133 172.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -52.31 20.91 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.386 1.474 . . . . 0.0 110.308 176.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 40.7 -151.81 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.949 2.9 . . . . 0.0 111.472 -175.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -145.79 15.02 1.38 Allowed 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.214 -0.929 . . . . 0.0 112.523 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.0 t -145.22 177.47 8.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 119.325 0.966 . . . . 0.0 110.025 -173.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.37 96.96 0.38 Allowed 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 164.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.11 167.85 16.84 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.28 -177.64 4.71 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 125.993 1.717 . . . . 0.0 110.572 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.33 159.12 2.82 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.586 -0.696 . . . . 0.0 110.54 164.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.33 -47.54 22.28 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.38 -0.678 . . . . 0.0 111.968 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.262 9.3 pt-20 43.52 93.59 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.469 3.108 . . . . 0.0 115.468 167.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.284 0.4 OUTLIER 56.96 175.73 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 125.524 1.529 . . . . 0.0 110.96 -174.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.93 152.55 16.77 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 CA-C-N 120.717 1.292 . . . . 0.0 109.26 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.76 74.22 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -124.17 155.09 68.45 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 124.228 1.011 . . . . 0.0 111.191 -172.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -90.22 170.63 3.95 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 124.249 3.299 . . . . 0.0 113.053 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.86 65.1 4.1 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.869 1.668 . . . . 0.0 109.142 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -136.57 124.41 22.62 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.666 1.187 . . . . 0.0 108.992 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 t -147.26 29.08 0.97 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.007 0.432 . . . . 0.0 111.858 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -116.82 139.26 50.8 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 161.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.63 -46.1 38.29 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 119.082 0.856 . . . . 0.0 111.926 172.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.21 -38.35 79.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.04 0.92 . . . . 0.0 112.965 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -87.34 -27.1 23.03 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.388 -0.82 . . . . 0.0 110.938 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.06 -45.19 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 163.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.47 -47.72 81.12 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.976 1.262 . . . . 0.0 112.062 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -36.12 71.33 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.071 0.548 . . . . 0.0 112.04 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.58 73.1 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 123.821 0.849 . . . . 0.0 108.796 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 tp -72.01 -39.31 69.3 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.918 -169.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.411 HG11 ' HB3' ' A' ' 63' ' ' ALA . 83.3 t -63.11 -43.24 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.167 0.894 . . . . 0.0 109.692 170.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.83 81.71 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.298 0.953 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -67.15 -60.23 2.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.323 1.449 . . . . 0.0 111.245 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -112.47 -13.57 13.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -159.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.02 157.12 4.79 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.615 1.102 . . . . 0.0 110.929 -169.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -15.01 16.02 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.573 1.949 . . . . 0.0 115.094 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -65.49 -83.47 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.293 1.037 . . . . 0.0 108.405 165.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -65.69 -22.88 66.66 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.412 -0.805 . . . . 0.0 111.648 -172.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.75 -5.82 6.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.221 0.919 . . . . 0.0 113.249 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.66 -47.93 2.3 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.074 0.852 . . . . 0.0 109.904 154.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -34.81 40.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -171.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.35 -39.29 12.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.938 1.695 . . . . 0.0 109.881 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -40.79 63.23 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.705 -0.622 . . . . 0.0 111.411 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -47.29 85.8 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.975 174.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 15.3 t60 -51.7 -43.78 62.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.888 1.676 . . . . 0.0 110.603 174.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.7 m -62.62 -22.2 66.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.87 0.868 . . . . 0.0 111.704 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.523 ' CD2' ' HB2' ' A' ' 141' ' ' CYS . 0.0 OUTLIER -58.19 -45.12 88.13 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 176.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.79 72.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.204 1.002 . . . . 0.0 109.78 -166.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.01 -48.26 80.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.732 2.013 . . . . 0.0 110.734 174.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 9.7 mtm -83.18 -31.09 27.3 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.428 1.013 . . . . 0.0 112.443 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.83 18.09 52.18 Favored Glycine 0 CA--C 1.532 1.149 0 O-C-N 121.39 -0.819 . . . . 0.0 114.587 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.539 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.0 mm? -79.87 81.44 6.13 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.202 1.501 . . . . 0.0 109.772 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -45.62 -49.53 14.15 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.411 1.084 . . . . 0.0 112.147 -174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.3 m -59.55 -25.05 64.22 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 137' ' ' LEU . 3.0 mm? -72.38 -47.27 50.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 119.927 1.239 . . . . 0.0 109.226 -176.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 132' ' ' TRP . 22.5 t -69.25 -41.23 77.2 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.074 0.549 . . . . 0.0 111.168 175.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.08 -61.87 2.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.694 0.797 . . . . 0.0 109.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -60.29 -23.56 64.26 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 119.864 1.211 . . . . 0.0 112.663 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.32 -10.07 57.92 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.711 1.596 . . . . 0.0 112.088 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -145.21 20.61 1.57 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.116 1.366 . . . . 0.0 110.986 -167.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -143.28 84.86 1.83 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 127.317 2.247 . . . . 0.0 106.44 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.15 -37.28 1.52 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.274 0.94 . . . . 0.0 113.769 178.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 56.93 32.31 21.31 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 127.191 2.196 . . . . 0.0 114.658 174.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 103.62 -166.35 15.9 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -162.21 100.11 1.08 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 163.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.534 0.338 0 C-N-CA 128.715 2.806 . . . . 0.0 113.121 -170.904 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.419 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.372 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 59' ' ' MET . . . 81.69 104.23 0.06 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 127.363 2.265 . . . . 0.0 110.207 -171.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 157.99 -81.3 0.16 Allowed Glycine 0 N--CA 1.439 -1.116 0 N-CA-C 107.124 -2.391 . . . . 0.0 107.124 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.68 -56.01 4.73 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 124.029 0.823 . . . . 0.0 111.391 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . -58.98 -40.95 86.39 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 128.171 2.588 . . . . 0.0 114.22 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -79.01 -59.69 2.68 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 117.701 -1.599 . . . . 0.0 107.19 -160.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.0 -103.14 0.25 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -75.77 -12.68 60.23 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.832 1.253 . . . . 0.0 113.715 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.401 HD13 ' CZ3' ' A' ' 125' ' ' TRP . 19.6 tp -45.45 -48.7 13.82 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.074 1.75 . . . . 0.0 111.106 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.45 54.23 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.538 1.063 . . . . 0.0 113.269 -177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -38.3 73.79 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.413 1.006 . . . . 0.0 110.032 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -68.36 -8.74 42.73 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.059 0.944 . . . . 0.0 111.869 171.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.9 mt -120.85 9.39 10.66 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 119.924 1.238 . . . . 0.0 112.067 -173.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -7.87 10.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.503 1.047 . . . . 0.0 113.104 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CZ ' HD21 ' A' ' 140' ' ' LEU . 17.4 p90 -61.08 -24.07 65.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.949 0.5 . . . . 0.0 111.48 171.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.502 HD23 ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -113.26 167.99 10.1 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 128.958 2.903 . . . . 0.0 109.796 176.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -130.32 179.5 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.346 1.858 . . . . 0.0 107.238 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -38.47 0.99 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.269 1.428 . . . . 0.0 114.37 -169.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -25.73 -68.79 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.068 2.547 . . . . 0.0 112.311 164.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -106.85 -26.62 11.16 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.899 1.68 . . . . 0.0 109.017 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.412 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.0 tm? -60.9 -37.82 83.54 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.606 1.548 . . . . 0.0 112.181 177.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.48 -34.63 25.32 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.559 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.25 -46.48 72.63 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.958 1.253 . . . . 0.0 109.166 163.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -69.1 -15.56 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 119.934 -1.729 . . . . 0.0 114.149 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -84.86 -48.58 9.2 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.961 1.71 . . . . 0.0 109.353 162.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -43.69 81.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.439 -0.788 . . . . 0.0 111.462 -166.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 134' ' ' GLN . 73.0 mt -70.82 -21.37 62.47 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.577 1.551 . . . . 0.0 109.552 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.07 31.36 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 171.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.78 -16.45 63.81 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.281 0.632 . . . . 0.0 112.395 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -75.4 -46.65 31.58 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.252 1.021 . . . . 0.0 109.914 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -66.18 -36.57 83.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.138 -0.976 . . . . 0.0 109.809 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.82 147.54 14.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.338 1.055 . . . . 0.0 109.594 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.98 144.13 43.18 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.53 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 p -157.34 160.33 38.38 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 120.735 -1.228 . . . . 0.0 109.724 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -136.87 152.51 50.32 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 162.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -171.84 -177.4 1.95 Allowed 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.145 2.178 . . . . 0.0 106.889 -174.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -42.08 -71.94 0.07 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.331 1.852 . . . . 0.0 111.923 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 m -71.65 -13.68 61.82 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.09 -66.47 0.5 Allowed Glycine 0 C--O 1.225 -0.459 0 N-CA-C 107.515 -2.234 . . . . 0.0 107.515 -172.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -109.53 152.89 24.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.74 1.216 . . . . 0.0 108.889 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.1 p -92.72 152.31 41.71 Favored Pre-proline 0 N--CA 1.445 -0.705 0 C-N-CA 122.826 0.45 . . . . 0.0 110.015 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.67 154.83 72.11 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.268 1.978 . . . . 0.0 110.044 166.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -170.0 148.52 3.46 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 127.758 2.423 . . . . 0.0 106.481 158.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -97.05 147.26 32.66 Favored Pre-proline 0 CA--C 1.537 0.447 0 C-N-CA 123.395 0.678 . . . . 0.0 109.35 172.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -79.88 136.32 11.82 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.552 2.834 . . . . 0.0 110.805 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -144.84 39.83 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.842 1.657 . . . . 0.0 110.114 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -132.9 115.66 15.52 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.547 0.739 . . . . 0.0 109.201 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.1 t -138.54 -2.82 1.74 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.452 1.501 . . . . 0.0 111.559 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.13 151.57 45.57 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 120.387 -1.446 . . . . 0.0 111.859 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.65 -42.46 97.27 Favored Glycine 0 C--O 1.226 -0.382 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 ptp -58.29 -21.16 47.92 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.35 -27.47 9.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.037 1.335 . . . . 0.0 110.879 -172.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.51 -39.14 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 162.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.05 -57.97 9.55 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.242 1.017 . . . . 0.0 112.279 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.8 p -64.54 -20.81 66.45 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -46.19 42.61 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.871 1.268 . . . . 0.0 109.221 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.38 -43.25 81.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.347 -0.846 . . . . 0.0 110.855 -171.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.454 HG11 ' HB3' ' A' ' 63' ' ' ALA . 38.6 t -66.35 -12.49 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.825 0.85 . . . . 0.0 110.815 174.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -103.45 -2.4 26.95 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.246 1.418 . . . . 0.0 112.503 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -107.63 -34.04 7.12 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.201 1.4 . . . . 0.0 110.337 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.403 ' CG ' ' HB2' ' A' ' 123' ' ' ARG . 90.0 m-85 -123.83 -26.22 4.14 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -176.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.02 177.14 7.22 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-O 123.011 1.34 . . . . 0.0 110.124 -153.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.91 -19.82 65.38 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -161.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -61.08 -78.5 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.223 1.374 . . . . 0.0 110.125 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HB2' ' CG ' ' A' ' 119' ' ' TYR . 16.6 mmm180 -65.68 -28.51 69.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.932 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.13 -13.76 40.63 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.453 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.401 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 1.5 t-105 -113.83 -50.22 2.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 120.1 1.318 . . . . 0.0 110.997 164.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -48.04 -46.29 33.1 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.787 1.63 . . . . 0.0 112.324 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tt -76.3 -36.3 58.41 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.64 -1.287 . . . . 0.0 108.719 -177.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.21 99.38 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.261 -0.899 . . . . 0.0 110.433 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.9 -51.74 67.91 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.553 1.541 . . . . 0.0 108.696 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -54.94 -41.91 71.63 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.317 0.962 . . . . 0.0 112.003 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.2 m -62.84 -22.5 66.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.593 1.088 . . . . 0.0 111.06 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.4 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.65 -0.656 . . . . 0.0 110.429 173.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.7 -30.29 67.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.124 0.57 . . . . 0.0 110.323 -167.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.467 ' CG ' HD13 ' A' ' 85' ' ' LEU . 36.6 tp60 -69.24 -63.01 1.15 Allowed 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 127.234 2.214 . . . . 0.0 110.192 167.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.2 mtm -67.52 -23.16 65.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.41 8.19 64.48 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 120.027 1.285 . . . . 0.0 115.288 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.7 82.42 4.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.952 1.876 . . . . 0.0 111.329 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -41.9 96.05 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 120.939 -1.1 . . . . 0.0 111.896 -172.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -47.24 15.36 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.961 1.304 . . . . 0.0 110.616 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.547 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 4.6 mm? -67.43 -55.88 11.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.585 1.154 . . . . 0.0 109.796 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 10.3 t -60.51 -38.34 84.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.71 -67.73 0.33 Allowed 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 124.2 0.938 . . . . 0.0 108.616 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -59.02 -31.37 68.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.048 0.939 . . . . 0.0 112.282 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.84 -8.22 10.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.059 2.143 . . . . 0.0 114.226 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -134.63 -71.47 0.49 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.361 1.464 . . . . 0.0 107.971 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 28.36 85.87 0.01 OUTLIER 'General case' 0 C--O 1.233 0.221 0 C-N-CA 130.067 3.347 . . . . 0.0 112.102 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 91.77 -4.75 79.22 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.838 1.209 . . . . 0.0 112.407 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.8 97.75 1.14 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.756 1.278 . . . . 0.0 107.66 163.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -124.31 4.69 8.85 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 117.578 -1.679 . . . . 0.0 115.381 -168.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 95.95 116.86 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 130.185 3.394 . . . . 0.0 107.459 -168.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -165.712 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . 0.261 24.3 ptm . . . . . 0 C--O 1.235 0.316 0 CA-C-O 122.991 1.377 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.19 141.66 58.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 120.891 -1.131 . . . . 0.0 109.048 163.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.71 179.7 46.37 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 107.382 -2.287 . . . . 0.0 107.382 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.71 61.53 3.8 Favored Glycine 0 C--O 1.22 -0.722 0 N-CA-C 107.894 -2.082 . . . . 0.0 107.894 171.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.628 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . 70.31 25.44 4.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.235 1.414 . . . . 0.0 114.442 -175.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.7 p-90 -142.68 175.54 9.73 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.001 1.32 . . . . 0.0 107.601 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.04 -90.78 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -51.74 -34.07 37.55 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.544 1.172 . . . . 0.0 113.379 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.6 pp -52.13 -28.48 18.07 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.61 -15.64 61.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.508 1.049 . . . . 0.0 112.537 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.9 m -76.4 -40.13 51.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.307 0.958 . . . . 0.0 111.054 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -56.93 -35.28 68.87 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 mp -80.66 13.18 2.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.989 2.116 . . . . 0.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -138.14 -4.17 1.73 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.064 2.146 . . . . 0.0 110.399 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -45.94 85.73 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.371 -1.456 . . . . 0.0 108.182 164.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.16 164.38 12.35 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.328 2.251 . . . . 0.0 109.462 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -125.72 -170.99 2.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.23 1.812 . . . . 0.0 107.278 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HD3' HD23 ' A' ' 79' ' ' LEU . 53.6 mmtt -60.29 -12.05 8.02 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -38.15 -72.91 0.05 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.978 1.711 . . . . 0.0 110.532 156.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -112.82 -17.98 12.39 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.969 1.258 . . . . 0.0 109.914 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.45 HD23 ' HD3' ' A' ' 76' ' ' LYS . 31.0 tp -55.88 -44.02 77.74 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 120.42 1.464 . . . . 0.0 110.937 175.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -47.87 68.8 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.515 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.39 -55.03 20.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 120.644 1.566 . . . . 0.0 110.003 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CD2' ' CZ3' ' A' ' 132' ' ' TRP . 31.0 t80 -45.5 -58.3 3.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.433 0.693 . . . . 0.0 110.682 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.25 -26.67 62.1 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.111 -0.993 . . . . 0.0 111.761 -172.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.74 -59.32 4.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.493 1.517 . . . . 0.0 108.445 173.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.64 -43.15 84.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.261 1.824 . . . . 0.0 110.681 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.41 -43.62 88.69 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.152 0.887 . . . . 0.0 110.024 178.08 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.44 67.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 120.951 -1.093 . . . . 0.0 110.818 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -53.94 -52.23 61.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.373 1.469 . . . . 0.0 108.949 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -56.31 -47.67 78.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.033 1.733 . . . . 0.0 110.823 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.56 -18.79 64.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -175.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 91' ' ' HIS 0.266 0.0 OUTLIER 31.22 103.57 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 131.462 3.905 . . . . 0.0 116.255 -172.164 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.0 t -150.75 -177.05 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 119.035 -2.291 . . . . 0.0 108.814 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -135.69 94.87 3.14 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.868 1.267 . . . . 0.0 109.699 -175.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.9 t -162.61 94.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p 176.78 -176.62 0.14 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.629 2.372 . . . . 0.0 108.344 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -58.02 163.37 2.81 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.402 -0.811 . . . . 0.0 108.817 149.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.46 -43.04 88.23 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 172.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.57 94.26 2.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.536 0.734 . . . . 0.0 111.515 -174.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.292 0.6 OUTLIER 55.3 167.41 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 125.676 1.59 . . . . 0.0 111.85 -176.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -84.28 152.41 12.27 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 O-C-N 119.097 -1.054 . . . . 0.0 111.578 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.91 144.24 14.69 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 127.871 2.468 . . . . 0.0 107.327 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -139.18 153.23 71.1 Favored Pre-proline 0 C--O 1.235 0.322 0 C-N-CA 125.766 1.626 . . . . 0.0 108.16 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.93 137.92 50.75 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.162 1.908 . . . . 0.0 109.598 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 52.61 67.48 0.98 Allowed 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 128.587 2.755 . . . . 0.0 113.315 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 83.52 2.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 124.171 1.938 . . . . 0.0 110.445 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.49 7.41 0.58 Allowed 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.484 -163.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.2 m -130.76 161.94 30.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 163.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.17 -44.77 96.63 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 168.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 ptp -62.3 -23.58 66.81 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.532 1.933 . . . . 0.0 113.011 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -77.34 -51.74 10.35 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.424 1.011 . . . . 0.0 109.605 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.41 -35.68 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.99 -62.02 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.505 1.122 . . . . 0.0 113.413 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -30.69 68.86 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.019 0.437 . . . . 0.0 111.352 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -36.33 68.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.078 0.466 . . . . 0.0 110.534 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.6 mt -70.04 -43.21 71.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.186 -0.946 . . . . 0.0 110.105 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.628 HG11 ' HB3' ' A' ' 63' ' ' ALA . 21.3 t -60.98 -43.47 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.34 83.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.731 1.15 . . . . 0.0 111.887 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -72.07 -43.58 64.65 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.061 0.945 . . . . 0.0 113.027 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -126.95 -44.23 1.64 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.149 -0.929 . . . . 0.0 113.327 -169.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 126.45 -117.47 2.82 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.385 1.469 . . . . 0.0 113.811 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -120.38 -20.98 7.04 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.71 -2.053 . . . . 0.0 113.566 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -79.36 -89.6 0.05 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 170.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -65.08 -8.0 14.62 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.06 70.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 116.874 -1.536 . . . . 0.0 111.188 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.584 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 38.3 t-105 -103.23 -45.58 4.86 Favored 'General case' 0 C--O 1.207 -1.179 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -176.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.94 -37.46 69.01 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 119.652 -1.905 . . . . 0.0 113.246 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 tt -76.61 -36.97 57.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 125' ' ' TRP . . . -50.48 -61.9 1.91 Allowed 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 125.255 1.422 . . . . 0.0 109.19 171.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -24.95 45.49 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.018 1.327 . . . . 0.0 111.581 -160.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -50.93 -38.53 50.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.555 0.742 . . . . 0.0 110.41 163.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.7 m -61.26 -20.87 63.35 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.321 -1.487 . . . . 0.0 112.004 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.436 ' CZ3' ' CD2' ' A' ' 82' ' ' PHE . 7.4 m95 -66.77 -33.29 75.29 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.137 -0.977 . . . . 0.0 111.289 174.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -44.44 96.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.979 0.912 . . . . 0.0 108.719 172.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.76 -42.54 60.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 116.347 -1.787 . . . . 0.0 114.174 -177.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 13.3 mtm -60.48 -61.44 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 121.442 1.928 . . . . 0.0 109.484 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 149.27 5.77 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.127 -0.818 . . . . 0.0 114.082 -174.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.533 HD23 HD12 ' A' ' 140' ' ' LEU 0.611 0.0 OUTLIER -124.69 56.78 1.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.773 2.029 . . . . 0.0 115.498 -170.199 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -11.42 4.67 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.9 t -47.19 -46.51 23.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.398 1.453 . . . . 0.0 109.855 164.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 137' ' ' LEU . 54.8 mt -66.87 -41.19 87.71 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.278 1.031 . . . . 0.0 110.158 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 13.6 t -58.08 -49.51 76.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.228 1.011 . . . . 0.0 110.144 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.63 -55.74 27.39 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.137 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.68 -12.2 32.18 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.951 1.251 . . . . 0.0 113.264 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.32 -2.04 56.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.331 1.423 . . . . 0.0 113.049 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -137.07 11.7 3.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.439 1.496 . . . . 0.0 110.485 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -108.61 53.51 0.68 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 126.737 2.015 . . . . 0.0 108.045 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 61.98 3.84 5.25 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 128.316 2.865 . . . . 0.0 117.146 159.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -91.13 -165.72 1.42 Allowed 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.557 1.543 . . . . 0.0 110.424 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 156.32 -40.83 0.57 Allowed Glycine 0 CA--C 1.527 0.785 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.557 -158.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 40.02 43.61 1.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.344 1.858 . . . . 0.0 113.737 163.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.449 -0.521 0 O-C-N 121.16 -0.963 . . . . 0.0 108.871 178.296 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 26.0 mmm . . . . . 0 N--CA 1.44 -0.946 0 CA-C-O 123.865 1.793 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.52 137.64 50.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.382 -1.736 . . . . 0.0 107.524 167.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 168.08 -41.16 0.23 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 157.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.75 89.44 1.18 Allowed Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 104.8 -3.32 . . . . 0.0 104.8 -159.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 48.09 73.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 126.322 1.849 . . . . 0.0 112.124 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -110.05 173.69 6.21 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.155 -1.384 . . . . 0.0 108.502 -175.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.13 -77.67 2.05 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 158.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -53.88 -31.66 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.375 1.088 . . . . 0.0 111.404 171.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.72 -62.42 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.298 1.039 . . . . 0.0 108.6 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.15 -20.85 65.77 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.147 -1.406 . . . . 0.0 113.748 -170.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.1 m -50.22 -42.74 52.15 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 121.089 1.768 . . . . 0.0 111.513 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -72.26 -32.59 66.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.95 0.9 . . . . 0.0 109.981 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.62 -6.53 54.5 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.539 1.136 . . . . 0.0 111.575 -173.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -90.6 -28.36 18.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 110.424 -173.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.67 55.46 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -174.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.96 165.0 23.05 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.506 1.522 . . . . 0.0 110.333 -177.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -134.06 -170.86 2.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.84 1.256 . . . . 0.0 108.627 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -6.15 10.4 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.908 -1.12 . . . . 0.0 114.02 -165.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.82 -76.33 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.026 0.93 . . . . 0.0 109.307 154.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -102.95 -24.88 13.63 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 121.124 -0.985 . . . . 0.0 110.763 -161.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -38.02 74.4 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 110.054 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -84.71 -37.87 20.41 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 116.371 -1.776 . . . . 0.0 110.534 -175.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.76 -57.38 11.74 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -46.47 -57.13 4.98 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 119.148 0.886 . . . . 0.0 111.641 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -39.92 69.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.551 1.069 . . . . 0.0 112.461 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -54.19 6.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.19 0.996 . . . . 0.0 110.057 -174.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.7 -16.24 37.46 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.944 1.298 . . . . 0.0 111.816 175.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 tt -80.64 -55.59 4.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 119.789 1.177 . . . . 0.0 108.39 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.38 -23.87 64.66 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.809 0.444 . . . . 0.0 111.511 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -52.53 -48.11 66.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.33 1.452 . . . . 0.0 110.489 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.345 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 34.88 -161.73 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.428 1.491 . . . . 0.0 112.224 -149.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -145.17 -65.72 0.33 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.4 m -128.47 114.87 17.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.92 15.35 2.29 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.232 0.613 . . . . 0.0 111.49 -164.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t 68.23 -175.83 0.2 Allowed 'General case' 0 C--O 1.242 0.666 0 C-N-CA 123.523 0.729 . . . . 0.0 109.338 -136.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 m -132.59 86.36 2.31 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 125.459 1.503 . . . . 0.0 107.877 -163.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.2 m -161.62 -174.24 4.14 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 126.217 1.807 . . . . 0.0 108.695 -171.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.74 -106.21 1.33 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 144.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.65 171.63 19.75 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 128.433 2.693 . . . . 0.0 108.304 170.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.46 160.1 20.18 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 123.538 0.735 . . . . 0.0 110.505 163.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -77.87 173.05 14.62 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 124.031 3.154 . . . . 0.0 111.43 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 61.1 171.05 0.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.148 2.179 . . . . 0.0 112.98 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -122.96 140.62 33.77 Favored Pre-proline 0 CA--C 1.54 0.594 0 O-C-N 121.507 -0.746 . . . . 0.0 110.294 -148.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -82.4 166.3 16.03 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 124.011 3.14 . . . . 0.0 113.578 -162.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.9 24.3 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.831 2.453 . . . . 0.0 113.153 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -119.8 97.66 5.73 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 173.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.5 t -135.66 2.25 2.9 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.668 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.7 m -99.99 153.57 19.09 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.471 1.032 . . . . 0.0 110.45 164.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.85 -28.5 70.29 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.449 -0.782 . . . . 0.0 113.014 172.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -36.19 82.98 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.826 -0.808 . . . . 0.0 110.293 175.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -82.85 -45.91 13.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.058 0.943 . . . . 0.0 110.89 -172.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 24.2 m -60.27 -28.88 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 123.752 0.821 . . . . 0.0 111.385 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.85 -48.59 30.91 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.362 0.665 . . . . 0.0 111.554 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.2 p -62.08 -33.34 74.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.665 0.666 . . . . 0.0 112.176 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -42.11 70.88 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.324 1.05 . . . . 0.0 109.072 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.0 -52.61 16.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.795 1.638 . . . . 0.0 111.108 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.96 -28.06 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 119.419 1.009 . . . . 0.0 109.865 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.47 64.96 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 120.766 -1.209 . . . . 0.0 112.05 171.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -61.59 -39.77 92.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.868 0.867 . . . . 0.0 110.175 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -127.72 -80.35 0.59 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.61 0.764 . . . . 0.0 110.473 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 125.35 163.12 11.53 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -158.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -55.15 -23.46 21.4 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.61 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.286 1.434 . . . . 0.0 110.0 168.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -27.53 62.33 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 120.668 -1.27 . . . . 0.0 112.831 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.84 13.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.772 0.715 . . . . 0.0 111.783 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -118.19 -51.31 2.43 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 119.395 0.998 . . . . 0.0 111.411 169.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -45.86 -45.0 14.81 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.609 1.564 . . . . 0.0 114.066 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -41.04 16.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.469 1.128 . . . . 0.0 108.38 -172.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.83 -41.42 64.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.121 1.368 . . . . 0.0 112.549 168.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.09 -52.91 63.4 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 125.69 1.596 . . . . 0.0 109.983 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.305 0.642 . . . . 0.0 110.468 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.9 m -65.24 -13.58 58.68 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.072 -1.017 . . . . 0.0 111.756 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -72.1 -28.83 63.54 Favored 'General case' 0 C--O 1.225 -0.198 0 O-C-N 120.7 -1.25 . . . . 0.0 111.754 172.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -58.92 -45.18 90.97 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.292 1.437 . . . . 0.0 110.029 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -49.48 -56.95 7.99 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.717 1.607 . . . . 0.0 110.531 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 36.4 mtp -81.01 -13.79 58.52 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.059 0.544 . . . . 0.0 112.324 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.39 26.01 69.1 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.149 -1.362 . . . . 0.0 113.102 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.44 77.33 6.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.155 1.977 . . . . 0.0 109.469 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -55.53 -46.83 77.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.588 1.155 . . . . 0.0 109.628 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.4 m -57.87 -40.61 80.62 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 118.188 -0.91 . . . . 0.0 113.182 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.67 -41.69 68.38 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.384 1.447 . . . . 0.0 109.401 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -44.22 97.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 110.488 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.23 -66.31 0.56 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.4 1.88 . . . . 0.0 110.459 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -49.65 -39.67 37.01 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 126.729 2.012 . . . . 0.0 111.407 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.64 42.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.22 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -128.35 5.0 5.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.382 2.273 . . . . 0.0 112.047 -167.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -116.78 13.37 15.07 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.625 -1.297 . . . . 0.0 113.469 -167.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 65.44 54.9 23.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 120.682 -1.261 . . . . 0.0 110.197 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -35.63 -83.21 0.01 OUTLIER 'General case' 0 C--N 1.34 0.184 0 C-N-CA 128.02 2.528 . . . . 0.0 112.508 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 33.88 69.33 0.18 Allowed Glycine 0 C--N 1.337 0.596 0 C-N-CA 127.681 2.562 . . . . 0.0 113.078 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.93 155.59 26.85 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.822 0.449 . . . . 0.0 110.046 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 C--N 1.333 -0.127 0 C-N-CA 126.665 1.986 . . . . 0.0 110.705 -162.738 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 37.0 mtp . . . . . 0 C--O 1.239 0.541 0 CA-C-O 122.279 1.038 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.65 152.62 21.7 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.273 155.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.461 ' HA3' ' CD2' ' A' ' 64' ' ' TRP . . . -133.8 162.8 24.48 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 126.369 1.938 . . . . 0.0 109.197 167.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 91.61 1.0 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 108.606 -1.797 . . . . 0.0 108.606 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . 62.63 24.02 14.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.632 1.173 . . . . 0.0 112.173 -171.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.461 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 69.9 p-90 -137.11 -177.96 4.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 167.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.2 -94.93 0.15 Allowed Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.186 -2.366 . . . . 0.0 107.186 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -57.01 -25.08 57.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -49.83 -42.74 47.98 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.077 1.351 . . . . 0.0 110.681 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.18 67.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.473 0.709 . . . . 0.0 112.243 -173.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -66.49 -36.81 83.65 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.15 0.98 . . . . 0.0 111.36 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -66.34 -21.38 66.25 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.926 -1.109 . . . . 0.0 110.696 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.8 mt -107.89 32.28 4.86 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.367 1.867 . . . . 0.0 109.193 -175.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.35 -26.82 1.83 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.229 1.411 . . . . 0.0 110.433 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -67.27 -50.97 58.38 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.424 0.557 . . . . 0.0 109.798 -175.624 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 161.59 30.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.927 0.891 . . . . 0.0 108.645 169.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -123.25 -176.61 3.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.15 -41.71 0.27 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.419 1.887 . . . . 0.0 114.483 -175.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -41.67 -55.82 2.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 128.719 2.807 . . . . 0.0 110.415 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -113.14 -22.45 10.51 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 123.605 0.762 . . . . 0.0 109.661 -172.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.3 tp -54.75 -39.14 68.01 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 121.134 -0.979 . . . . 0.0 111.115 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -39.57 54.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.034 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.805 ' HA ' HD13 ' A' ' 85' ' ' LEU . 34.1 mt-10 -62.07 0.85 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.434 1.094 . . . . 0.0 112.589 164.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -103.77 -74.62 0.64 Allowed 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 121.362 -0.836 . . . . 0.0 110.408 157.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.95 -35.76 47.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.953 1.701 . . . . 0.0 113.178 -169.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.432 ' HG ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -87.32 -48.44 7.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.75 0.704 . . . . 0.0 109.509 -175.195 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.805 HD13 ' HA ' ' A' ' 81' ' ' GLU . 8.9 mp -56.96 -22.5 38.57 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.785 2.034 . . . . 0.0 111.204 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -44.85 83.94 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.95 67.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.346 -0.846 . . . . 0.0 110.97 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -63.69 -44.35 93.93 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -72.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 169.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.31 -150.94 0.08 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.795 1.638 . . . . 0.0 110.88 -167.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -116.09 133.81 55.62 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 165.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 m 56.29 -173.17 0.07 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.789 1.236 . . . . 0.0 113.687 -171.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.81 124.85 40.62 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 169.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 m -144.43 95.91 2.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 165.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.2 m -68.36 117.17 9.8 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 169.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 65.6 m -150.18 -50.87 0.14 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.298 1.439 . . . . 0.0 110.024 170.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.48 33.67 3.83 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.172 0.891 . . . . 0.0 111.305 -163.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -59.77 164.17 3.91 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 169.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 71.0 162.12 0.15 Allowed Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.308 1.843 . . . . 0.0 111.296 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.07 174.69 12.12 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.522 2.814 . . . . 0.0 110.502 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.37 160.44 13.38 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.978 0.894 . . . . 0.0 110.802 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.9 pm0 -67.23 150.9 97.65 Favored Pre-proline 0 N--CA 1.442 -0.847 0 C-N-CA 125.937 1.695 . . . . 0.0 110.474 -172.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -71.53 145.57 47.59 Favored 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 122.236 1.957 . . . . 0.0 112.184 176.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -78.51 63.86 3.44 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 127.27 2.228 . . . . 0.0 110.176 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -126.43 157.01 39.69 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.724 0.773 . . . . 0.0 110.935 176.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -139.66 0.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.811 2.044 . . . . 0.0 111.999 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -111.85 133.92 53.75 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.421 0.629 . . . . 0.0 109.433 -174.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.81 85.46 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 123.897 0.761 . . . . 0.0 112.78 -167.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -43.16 74.86 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 117.864 0.832 . . . . 0.0 111.4 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.7 -27.23 27.17 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 121.407 -0.808 . . . . 0.0 112.3 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.03 -41.29 82.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 165.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.32 90.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.137 0.881 . . . . 0.0 112.111 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 p -58.59 -35.77 72.95 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.96 0.8 . . . . 0.0 112.048 174.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -42.36 82.29 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 115' ' ' LEU . 9.4 tp -69.79 -43.11 72.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 120.894 -1.129 . . . . 0.0 111.982 -171.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 63' ' ' ALA . 39.1 t -67.7 -27.13 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 118.2 0.455 . . . . 0.0 110.149 174.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.0 -35.02 66.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.282 0.947 . . . . 0.0 111.539 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -69.73 -59.7 2.78 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.234 1.014 . . . . 0.0 109.454 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 97.1 m-85 -108.57 -26.52 10.36 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -162.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.36 166.17 25.88 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -156.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -49.45 -53.14 24.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.697 1.199 . . . . 0.0 112.369 -167.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -50.4 -77.53 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.971 1.308 . . . . 0.0 111.133 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.412 ' HB3' ' CD1' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -69.42 -12.18 61.44 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 116.982 -1.485 . . . . 0.0 112.013 -176.305 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.84 -65.12 0.73 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.744 1.611 . . . . 0.0 107.322 167.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -76.13 -44.44 38.38 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.582 -0.699 . . . . 0.0 112.138 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -29.19 69.28 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.16 -1.587 . . . . 0.0 113.394 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 tt -81.98 -42.84 18.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.453 1.501 . . . . 0.0 109.36 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.13 69.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.911 1.284 . . . . 0.0 110.505 172.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.4 -56.19 10.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 120.236 1.38 . . . . 0.0 111.658 174.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -54.12 -42.95 70.03 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.462 0.705 . . . . 0.0 110.13 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.8 m -57.71 -31.16 66.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.413 0.685 . . . . 0.0 110.868 -172.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -74.68 -28.59 60.89 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.369 -0.832 . . . . 0.0 113.191 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -64.91 -40.97 95.9 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.04 0.836 . . . . 0.0 109.161 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -55.8 -44.92 78.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.082 1.753 . . . . 0.0 110.711 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.0 mtp -74.98 -15.45 60.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.84 6.47 69.79 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.887 1.232 . . . . 0.0 114.209 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.507 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.2 mm? -79.48 124.99 28.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 120.216 2.008 . . . . 0.0 108.318 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -107.05 -24.69 11.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 42.8 t -57.67 -35.19 70.23 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.216 0.916 . . . . 0.0 110.252 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 137' ' ' LEU . 3.8 mm? -73.41 -61.3 1.88 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.282 1.033 . . . . 0.0 110.677 -165.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.38 -37.57 72.86 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.041 0.837 . . . . 0.0 111.482 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.86 -72.78 0.07 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.87 -11.3 58.36 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.413 -1.429 . . . . 0.0 113.258 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.82 -45.57 50.49 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 120.914 -1.116 . . . . 0.0 111.793 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -154.75 29.39 0.42 Allowed 'General case' 0 C--N 1.344 0.347 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -162.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.62 -4.12 58.83 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.93 15.04 29.73 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.027 0.823 . . . . 0.0 111.514 -162.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.38 103.94 14.74 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.578 1.551 . . . . 0.0 108.003 166.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 117.24 68.47 0.38 Allowed Glycine 0 CA--C 1.521 0.437 0 C-N-CA 124.491 1.043 . . . . 0.0 112.588 171.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.58 -177.34 0.2 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.465 1.106 . . . . 0.0 110.229 178.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 169.027 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 CA--C 1.535 0.398 0 CA-C-O 120.588 0.232 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.46 136.06 57.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.579 0.751 . . . . 0.0 109.323 165.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.437 ' HA3' ' CD2' ' A' ' 64' ' ' TRP . . . -73.35 136.29 22.12 Favored Glycine 0 N--CA 1.437 -1.262 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 176.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.19 -18.49 49.15 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-N 116.673 0.237 . . . . 0.0 112.846 172.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.35 10.36 0.07 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 122.224 -0.574 . . . . 0.0 112.228 -161.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.437 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 12.9 p-90 -141.61 171.28 14.27 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.746 1.619 . . . . 0.0 107.088 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.02 -79.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -174.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -54.85 -51.26 66.46 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.023 0.911 . . . . 0.0 111.956 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.8 pp -50.58 -33.14 20.85 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.882 1.673 . . . . 0.0 113.054 175.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . . . -69.78 -22.06 63.37 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.369 0.986 . . . . 0.0 111.766 -172.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -64.69 -49.84 69.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.411 1.005 . . . . 0.0 110.027 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -54.67 -33.78 61.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.005 0.522 . . . . 0.0 109.788 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 68' ' ' ALA . 9.3 mp -83.4 0.45 46.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.72 1.608 . . . . 0.0 113.872 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 -5.67 11.07 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 120.57 1.532 . . . . 0.0 112.153 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.754 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -58.18 -56.16 25.7 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 166.026 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.11 161.86 27.09 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 110.045 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -125.0 177.22 6.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.87 1.668 . . . . 0.0 108.069 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.07 -10.84 15.96 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -164.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -44.58 -63.7 0.84 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.048 1.294 . . . . 0.0 110.122 157.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.69 -31.26 8.98 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -167.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.08 -39.62 66.47 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.139 -0.976 . . . . 0.0 110.233 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.509 ' HE3' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -61.74 -57.12 13.14 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.657 1.183 . . . . 0.0 111.351 172.318 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -53.38 -42.93 67.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.861 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -55.57 -51.44 67.09 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 119.386 0.994 . . . . 0.0 112.193 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.2 -46.4 88.52 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.099 0.863 . . . . 0.0 110.168 176.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.509 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 5.9 tt -64.0 -54.59 31.92 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 125.65 1.58 . . . . 0.0 110.513 -170.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.57 -48.06 82.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.301 2.24 . . . . 0.0 109.56 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.61 -48.7 80.63 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 125.086 1.354 . . . . 0.0 109.53 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.2 -13.5 60.38 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.051 0.941 . . . . 0.0 113.171 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.45 -45.74 11.56 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 119.365 0.984 . . . . 0.0 109.962 167.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -60.09 3.79 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.083 1.753 . . . . 0.0 110.616 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.55 111.01 2.51 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.56 166.05 1.0 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.108 0.963 . . . . 0.0 112.684 169.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 m 56.19 144.48 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.91 2.084 . . . . 0.0 112.764 -170.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -162.18 81.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 120.126 -1.609 . . . . 0.0 108.195 -164.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.26 171.94 0.18 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.58 1.552 . . . . 0.0 111.575 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 75.2 m -84.27 -169.46 2.61 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.481 -0.762 . . . . 0.0 109.845 165.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.41 159.33 4.88 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.659 1.183 . . . . 0.0 111.075 171.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -172.23 86.09 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 106.363 -2.695 . . . . 0.0 106.363 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.6 143.97 55.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 172.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m 59.8 146.04 0.06 OUTLIER Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 128.343 2.657 . . . . 0.0 111.24 -168.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -85.88 155.91 10.09 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.038 2.492 . . . . 0.0 112.294 -170.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.76 102.45 2.85 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 126.249 1.819 . . . . 0.0 106.969 170.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.07 147.52 45.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.861 1.209 . . . . 0.0 109.257 172.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -93.32 151.36 2.48 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.312 3.341 . . . . 0.0 112.487 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -109.16 22.07 16.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.031 1.332 . . . . 0.0 113.601 -166.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HE3' ' CD1' ' A' ' 114' ' ' TYR . 0.5 OUTLIER -84.56 78.72 9.79 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 122.245 1.022 . . . . 0.0 109.479 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 t -82.61 5.47 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 125.793 1.637 . . . . 0.0 112.287 -174.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.5 m -123.76 141.24 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 121.426 -0.797 . . . . 0.0 110.567 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.8 91.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 123.759 0.695 . . . . 0.0 113.575 -167.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -14.91 35.87 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.283 1.033 . . . . 0.0 112.769 171.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -108.2 -12.31 15.11 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.831 1.252 . . . . 0.0 111.912 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.63 -24.09 18.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 120.663 -1.273 . . . . 0.0 108.465 155.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.31 -53.04 21.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.166 -0.959 . . . . 0.0 111.97 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.92 -41.52 46.27 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.576 1.55 . . . . 0.0 111.066 170.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.484 ' CD1' ' HE3' ' A' ' 105' ' ' LYS . 1.5 t80 -68.49 -45.21 72.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.974 0.909 . . . . 0.0 110.775 -176.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.29 -39.15 93.34 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.598 -0.689 . . . . 0.0 110.702 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.44 -42.85 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.84 -49.4 72.94 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.043 0.838 . . . . 0.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -72.87 -32.33 65.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.766 -169.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -129.06 -45.02 1.27 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.552 0.615 . . . . 0.0 112.178 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 113.25 160.02 13.93 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -172.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -68.79 -13.71 62.57 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -165.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.52 -81.57 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.392 1.477 . . . . 0.0 110.462 159.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -62.48 -26.83 68.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.712 1.142 . . . . 0.0 111.977 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 121' ' ' GLU . . . -59.9 -13.14 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 118.182 -0.913 . . . . 0.0 112.232 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.472 ' CZ3' ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -119.11 -53.58 2.25 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.45 0.7 . . . . 0.0 110.338 160.286 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -50.72 -35.29 30.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.371 1.869 . . . . 0.0 114.823 -175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -51.37 7.05 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.66 47.01 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.233 1.013 . . . . 0.0 113.081 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -52.91 -49.84 65.14 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.106 1.363 . . . . 0.0 110.468 176.387 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.97 -32.05 63.53 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.841 0.746 . . . . 0.0 111.441 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 m -60.95 -9.2 3.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.526 1.057 . . . . 0.0 111.719 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.408 ' CG ' ' HB2' ' A' ' 141' ' ' CYS . 5.2 p-90 -55.64 -42.61 75.26 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.047 -1.033 . . . . 0.0 110.439 165.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.44 -32.67 74.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.349 1.06 . . . . 0.0 109.756 -171.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.24 -62.97 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.852 1.261 . . . . 0.0 109.304 171.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 4.7 mtm -75.46 -12.53 60.26 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -171.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.78 1.59 82.56 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.102 1.81 . . . . 0.0 114.928 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.15 86.29 4.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.465 2.133 . . . . 0.0 110.78 -168.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -53.75 48.31 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.06 0.944 . . . . 0.0 111.134 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -25.43 68.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.258 0.623 . . . . 0.0 111.926 -168.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.754 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.0 mm? -69.39 -59.92 2.68 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.408 ' HB2' ' CG ' ' A' ' 132' ' ' TRP . 35.2 t -57.41 -39.35 75.98 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.436 0.695 . . . . 0.0 111.094 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.1 -65.29 0.72 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.705 0.802 . . . . 0.0 110.137 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.79 -18.74 65.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.0 0.92 . . . . 0.0 112.341 -173.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.38 -14.2 62.78 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.888 . . . . 0.0 112.659 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -134.88 -9.66 2.35 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.566 1.146 . . . . 0.0 112.551 -168.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.87 3.89 0.49 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.898 2.479 . . . . 0.0 113.36 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.68 14.46 31.99 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.608 1.575 . . . . 0.0 112.945 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.32 103.74 2.49 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.965 1.306 . . . . 0.0 108.314 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -179.54 169.54 40.62 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 126.402 1.953 . . . . 0.0 110.061 170.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -164.11 168.19 19.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 127.259 2.224 . . . . 0.0 108.591 171.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 C-N-CA 124.761 1.224 . . . . 0.0 108.759 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.353 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 59' ' ' MET . . . 86.11 93.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.096 1.759 . . . . 0.0 108.937 163.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.44 ' HA2' ' CD1' ' A' ' 64' ' ' TRP . . . -135.2 1.99 3.83 Favored Glycine 0 CA--C 1.535 1.281 0 N-CA-C 115.83 1.092 . . . . 0.0 115.83 -151.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.27 -55.32 4.38 Favored Glycine 0 C--N 1.337 0.633 0 CA-C-N 119.163 1.482 . . . . 0.0 111.327 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.642 ' HB3' HG22 ' A' ' 116' ' ' VAL . . . -78.98 74.82 5.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.702 1.601 . . . . 0.0 106.962 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.44 ' CD1' ' HA2' ' A' ' 61' ' ' GLY . 1.4 m95 -149.54 168.64 22.96 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -169.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.97 -91.08 0.59 Allowed Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 107.023 -2.431 . . . . 0.0 107.023 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -27.43 7.27 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.368 1.067 . . . . 0.0 113.347 172.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -62.9 1.2 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.79 -24.99 67.73 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.081 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -10.3 3.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.837 1.655 . . . . 0.0 114.641 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -114.36 -41.07 3.52 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.841 2.057 . . . . 0.0 108.279 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -68.98 4.28 1.61 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.808 2.443 . . . . 0.0 112.498 177.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -16.79 14.43 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.989 1.716 . . . . 0.0 111.765 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.658 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -64.36 -47.5 79.07 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 120.076 1.307 . . . . 0.0 108.236 174.046 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -99.25 160.44 14.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.806 1.242 . . . . 0.0 112.026 -176.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -135.5 -161.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.796 1.639 . . . . 0.0 107.507 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -54.58 -16.39 2.38 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -169.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -51.97 -58.36 6.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.415 1.007 . . . . 0.0 109.957 169.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' HB2' HD12 ' A' ' 74' ' ' LEU . 31.5 mt-10 -125.65 -21.08 4.53 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.108 0.867 . . . . 0.0 111.034 -169.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.95 -34.4 77.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 119.794 -1.816 . . . . 0.0 110.901 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -44.86 87.73 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.425 170.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.19 -34.74 78.77 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.869 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -50.63 -60.89 2.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.691 2.042 . . . . 0.0 110.045 171.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -66.21 -25.69 67.04 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.99 -63.96 1.24 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.59 1.556 . . . . 0.0 109.112 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.61 -43.9 69.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 127.306 2.242 . . . . 0.0 110.602 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.53 -48.74 79.67 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.73 70.01 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.921 0.782 . . . . 0.0 111.185 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.68 -34.55 67.27 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.627 0.771 . . . . 0.0 111.94 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' HE3' ' NE2' ' A' ' 130' ' ' HIS . 1.6 mptt -68.0 -75.72 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.888 1.275 . . . . 0.0 108.306 164.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 48.52 -165.07 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.555 1.542 . . . . 0.0 110.664 -172.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.31 19.99 0.95 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.404 -1.435 . . . . 0.0 112.795 170.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 t -97.78 -178.54 4.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.732 1.213 . . . . 0.0 110.08 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -160.26 165.2 31.86 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.794 1.238 . . . . 0.0 109.682 168.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.8 m 58.74 -176.37 0.08 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.283 1.433 . . . . 0.0 113.762 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m 74.23 -177.99 0.17 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.187 2.595 . . . . 0.0 108.692 -153.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.5 p -134.42 158.89 42.72 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.227 -0.921 . . . . 0.0 108.629 168.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -150.21 72.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 N-CA-C 107.257 -2.337 . . . . 0.0 107.257 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.71 121.19 12.78 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 175.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.8 m 59.05 141.95 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 131.403 3.881 . . . . 0.0 112.2 -166.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -78.44 154.28 27.72 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.344 2.696 . . . . 0.0 110.828 -175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.65 70.18 1.28 Allowed 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.723 1.209 . . . . 0.0 109.394 -169.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -65.18 151.26 94.2 Favored Pre-proline 0 C--O 1.24 0.566 0 C-N-CA 123.388 0.675 . . . . 0.0 110.103 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.81 -175.53 2.48 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.75 2.967 . . . . 0.0 110.649 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -94.9 14.64 20.93 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.43 1.092 . . . . 0.0 113.681 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -96.46 113.82 25.43 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -171.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.1 t -152.62 15.68 0.59 Allowed 'General case' 0 C--O 1.239 0.536 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -161.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -119.93 160.07 23.44 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.572 0.623 . . . . 0.0 112.447 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -30.26 -61.86 0.19 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 128.05 2.738 . . . . 0.0 112.975 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -14.11 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.477 1.511 . . . . 0.0 113.45 -173.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.06 -47.89 7.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.245 0.618 . . . . 0.0 110.511 -172.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.2 t -53.37 -39.35 35.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.65 -62.01 1.94 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.146 0.979 . . . . 0.0 112.229 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -63.03 -24.25 67.83 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.29 0.496 . . . . 0.0 111.945 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.49 -48.18 65.12 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 172.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 115' ' ' LEU . 6.9 tp -65.13 -43.75 90.91 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.226 1.01 . . . . 0.0 112.46 -173.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.642 HG22 ' HB3' ' A' ' 63' ' ' ALA . 2.8 t -64.58 -29.37 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 118.886 0.766 . . . . 0.0 110.076 176.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.7 59.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.722 1.147 . . . . 0.0 111.932 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -65.86 -50.92 62.82 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.628 0.649 . . . . 0.0 110.238 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -117.25 -22.69 8.18 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -163.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.2 174.3 45.43 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -152.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.46 -34.91 69.49 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 123.924 0.89 . . . . 0.0 112.684 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -60.29 -84.39 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.499 1.52 . . . . 0.0 109.218 -175.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -65.01 -21.83 66.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.251 0.932 . . . . 0.0 111.684 -172.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.79 -18.83 57.49 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.82 1.191 . . . . 0.0 112.317 174.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.463 ' CD1' HD11 ' A' ' 129' ' ' LEU . 0.9 OUTLIER -119.9 -49.91 2.3 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 119.501 1.046 . . . . 0.0 109.592 174.305 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -59.53 -22.66 61.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.738 1.215 . . . . 0.0 113.766 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -94.75 -41.26 9.34 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.926 1.239 . . . . 0.0 109.481 171.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.92 -45.4 10.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.463 0.705 . . . . 0.0 112.638 170.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 125' ' ' TRP . 8.9 mt -73.27 -33.35 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.767 1.627 . . . . 0.0 110.795 -175.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.43 ' NE2' ' HE3' ' A' ' 89' ' ' LYS . 2.3 t-160 -59.62 -49.31 78.25 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 164.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -26.33 54.57 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.195 -1.565 . . . . 0.0 112.678 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.405 ' CH2' ' CD2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -76.06 -24.18 55.11 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.917 1.287 . . . . 0.0 111.681 178.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.88 67.67 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.222 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -73.43 -65.32 0.83 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.64 169.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 6.3 mtm -56.88 -24.88 54.99 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 119.664 1.12 . . . . 0.0 113.313 -165.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.98 11.21 67.99 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 119.176 0.898 . . . . 0.0 112.781 172.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -79.11 72.08 5.63 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -61.65 -37.62 84.73 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.578 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -47.98 53.17 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.295 1.438 . . . . 0.0 110.508 175.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.658 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.1 mm? -65.17 -52.48 54.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 124.166 0.986 . . . . 0.0 110.143 -178.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.01 -43.17 99.48 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.519 0.328 . . . . 0.0 111.102 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.52 -61.88 2.11 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.643 1.577 . . . . 0.0 108.119 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -50.09 -32.11 14.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.479 1.112 . . . . 0.0 113.119 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -80.81 -8.08 59.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.666 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.11 20.94 1.1 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 121.271 1.85 . . . . 0.0 112.855 -168.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -112.61 -2.5 14.55 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -168.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.52 27.19 6.9 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.041 0.353 . . . . 0.0 112.49 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.52 70.73 0.07 Allowed 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.016 -1.284 . . . . 0.0 109.764 155.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -172.32 -169.67 35.28 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.925 1.726 . . . . 0.0 110.121 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -90.28 -172.18 3.37 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.599 0.714 . . . . 0.0 109.647 173.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 C--O 1.238 0.476 0 C-N-CA 126.197 1.799 . . . . 0.0 106.504 156.154 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.6 ppp? . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.379 0.609 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 62' ' ' GLY . . . -144.03 15.47 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.095 1.358 . . . . 0.0 113.158 -169.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.38 -39.27 1.45 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.731 1.634 . . . . 0.0 111.687 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 60' ' ' ALA . . . 139.9 -24.09 2.74 Favored Glycine 0 N--CA 1.44 -1.067 0 C-N-CA 128.344 2.878 . . . . 0.0 109.901 -164.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 163.87 19.73 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.862 2.065 . . . . 0.0 112.055 -164.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -156.07 -73.15 0.11 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 120.62 -1.3 . . . . 0.0 108.424 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.73 -100.05 0.03 OUTLIER Glycine 0 C--N 1.336 0.567 0 C-N-CA 126.435 1.969 . . . . 0.0 110.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.84 -41.39 1.13 Allowed 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.592 1.957 . . . . 0.0 112.922 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.7 mt -50.62 -41.89 55.46 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 118.705 0.684 . . . . 0.0 110.798 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.24 65.2 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.782 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.27 -50.07 61.88 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.062 1.301 . . . . 0.0 109.554 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -55.84 -43.46 77.03 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.9 9.52 5.24 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.118 0.967 . . . . 0.0 113.069 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 -5.33 7.72 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.756 1.617 . . . . 0.0 113.272 175.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.635 ' CE2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -57.17 -40.78 77.96 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 170.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.02 166.0 12.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.94 2.096 . . . . 0.0 110.51 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -127.52 -171.67 2.49 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.765 1.626 . . . . 0.0 108.635 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -47.48 -23.4 0.62 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.809 2.044 . . . . 0.0 113.047 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 77' ' ' GLU . 32.3 mt-10 -38.05 -64.03 0.44 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 128.998 2.919 . . . . 0.0 110.341 164.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -124.41 -22.26 4.72 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.441 1.496 . . . . 0.0 110.854 -170.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.6 tp -57.57 -43.46 84.57 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.866 1.266 . . . . 0.0 110.699 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -63.61 -54.44 35.81 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.025 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -42.18 83.21 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.641 -178.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.435 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 27.0 t80 -49.65 -61.89 1.86 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 120.325 1.42 . . . . 0.0 110.604 173.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -66.53 -28.16 68.32 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.905 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.23 -58.8 3.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.496 2.318 . . . . 0.0 110.206 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.0 -41.79 88.52 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.515 1.526 . . . . 0.0 110.067 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tt -59.94 -57.11 14.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.607 1.163 . . . . 0.0 108.514 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.74 -35.68 71.03 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 111.697 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -61.74 -57.32 12.36 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.586 0.755 . . . . 0.0 109.835 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -58.68 6.98 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.88 -173.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 49.06 -11.21 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 131.549 3.939 . . . . 0.0 119.601 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.98 155.01 0.13 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.557 2.343 . . . . 0.0 109.475 -139.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.6 t -170.49 146.01 2.7 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 163.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 ttt-85 -91.58 132.37 36.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 173.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.9 m 56.37 -172.14 0.07 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.597 0.759 . . . . 0.0 112.04 -173.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.1 p -107.33 110.72 22.8 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.854 1.662 . . . . 0.0 108.84 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.7 m -146.74 118.93 8.28 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.128 0.876 . . . . 0.0 108.964 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.68 -30.12 72.8 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 163.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.74 -166.78 0.07 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.872 2.069 . . . . 0.0 111.002 176.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.5 p -62.17 134.32 94.53 Favored Pre-proline 0 N--CA 1.444 -0.739 0 O-C-N 120.902 -1.124 . . . . 0.0 108.277 171.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.45 154.41 50.5 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.052 1.168 . . . . 0.0 109.512 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -152.13 143.75 23.52 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -127.97 154.09 78.35 Favored Pre-proline 0 C--O 1.238 0.459 0 C-N-CA 124.265 1.026 . . . . 0.0 109.673 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -86.27 124.69 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.255 1.97 . . . . 0.0 114.058 -172.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.73 17.43 2.29 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 128.275 2.63 . . . . 0.0 115.371 -169.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.48 164.11 30.24 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.704 1.202 . . . . 0.0 110.456 -177.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 t -145.0 6.25 1.16 Allowed 'General case' 0 C--O 1.238 0.494 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -164.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.27 156.98 31.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.262 1.025 . . . . 0.0 109.606 173.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.01 69.0 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 124.296 0.95 . . . . 0.0 112.25 -175.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.11 -21.28 66.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.35 1.075 . . . . 0.0 111.881 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.89 -58.43 3.31 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 119.427 1.012 . . . . 0.0 109.425 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.407 ' HA ' ' HB3' ' A' ' 114' ' ' TYR . 4.7 m -58.15 -26.69 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.139 0.976 . . . . 0.0 111.96 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.32 -58.92 3.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.456 1.102 . . . . 0.0 113.037 171.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -27.44 68.26 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.345 -0.847 . . . . 0.0 111.915 176.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.407 ' HB3' ' HA ' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.4 -49.12 67.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.92 0.782 . . . . 0.0 108.978 -179.146 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.372 1.069 . . . . 0.0 109.667 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.88 -41.79 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 O-C-N 121.878 -0.514 . . . . 0.0 109.674 173.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.02 -30.69 71.13 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.781 0.832 . . . . 0.0 112.144 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.53 -68.73 0.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 167.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.44 -7.51 12.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -149.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.94 177.38 35.98 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -152.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -54.75 -26.94 37.46 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.482 0.713 . . . . 0.0 112.897 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -55.4 -80.46 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.306 1.042 . . . . 0.0 111.546 -170.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.457 ' HA ' ' HB3' ' A' ' 126' ' ' ASP . 0.8 OUTLIER -68.43 -20.81 64.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.186 -179.108 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.35 -14.31 17.86 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.83 -46.63 2.34 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.27 0.941 . . . . 0.0 112.215 164.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' A' ' 123' ' ' ARG . 16.9 t70 -50.4 -43.03 54.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.742 1.617 . . . . 0.0 114.055 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -40.94 21.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.072 0.939 . . . . 0.0 108.726 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -51.37 -36.14 41.9 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.01 0.924 . . . . 0.0 112.662 168.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.69 -39.77 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 120.348 1.431 . . . . 0.0 111.448 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -43.47 98.75 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.5 m -61.55 -37.02 82.26 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.848 0.859 . . . . 0.0 109.34 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -63.6 -36.85 85.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.725 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -75.2 -38.5 60.71 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.776 0.716 . . . . 0.0 109.981 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.31 -46.27 69.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.662 1.185 . . . . 0.0 111.379 173.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 66.4 mtp -77.04 -16.34 59.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.61 25.18 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 118.941 0.792 . . . . 0.0 112.491 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.6 ' HB3' HD23 ' A' ' 140' ' ' LEU . 3.7 mm? -106.51 81.93 1.66 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.855 1.327 . . . . 0.0 110.186 173.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -61.77 -44.05 97.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 O-C-N 121.324 -0.86 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.4 p -63.2 0.78 0.57 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.647 1.579 . . . . 0.0 114.286 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.635 HD21 ' CE2' ' A' ' 73' ' ' PHE . 4.6 mm? -105.71 -53.25 2.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.173 1.389 . . . . 0.0 107.819 171.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.07 -47.29 68.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.44 1.096 . . . . 0.0 113.393 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.83 -67.02 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -55.81 -19.48 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.026 1.331 . . . . 0.0 114.163 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.43 63.11 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 116.438 -1.744 . . . . 0.0 112.026 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.532 ' N ' HE21 ' A' ' 145' ' ' GLN 0.27 0.1 OUTLIER -125.51 10.59 7.9 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 120.4 1.455 . . . . 0.0 111.695 175.383 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -115.3 15.01 16.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.197 1.399 . . . . 0.0 110.598 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.36 48.66 29.55 Favored Glycine 0 CA--C 1.526 0.765 0 O-C-N 121.324 -0.86 . . . . 0.0 113.365 166.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.82 -165.67 0.86 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 118.002 0.901 . . . . 0.0 108.642 159.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 154.93 -157.08 27.35 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.193 1.854 . . . . 0.0 110.003 -168.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -129.69 -86.31 0.53 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.974 0.887 . . . . 0.0 109.379 169.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.453 -0.295 0 CA-C-N 118.895 0.77 . . . . 0.0 109.997 -173.021 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.848 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.94 -166.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.92 0.888 . . . . 0.0 108.714 158.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.78 57.91 0.34 Allowed Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 105.716 -2.954 . . . . 0.0 105.716 175.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.45 -33.9 78.54 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.97 90.36 3.31 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 125.59 1.556 . . . . 0.0 108.573 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -146.74 172.97 12.81 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -174.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 -91.68 1.66 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 164.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.31 -44.78 62.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.314 1.446 . . . . 0.0 110.617 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 tp -47.37 -52.7 15.85 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.133 1.373 . . . . 0.0 111.523 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.91 -14.86 58.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.076 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.8 m -63.02 -40.87 99.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 121.681 2.037 . . . . 0.0 110.027 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -61.87 -24.23 66.79 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 123.128 0.571 . . . . 0.0 111.885 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 -8.48 31.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.252 1.021 . . . . 0.0 110.551 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.94 -32.35 57.27 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.484 0.713 . . . . 0.0 110.095 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -81.44 -9.94 59.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.447 0.699 . . . . 0.0 112.708 -171.185 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -69.04 171.95 7.43 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.264 1.825 . . . . 0.0 111.769 -173.182 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -134.94 169.83 16.81 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.471 1.108 . . . . 0.0 110.366 152.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -39.73 -47.76 2.09 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.579 1.952 . . . . 0.0 112.493 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.26 -16.48 45.82 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 125.136 1.374 . . . . 0.0 112.237 -168.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -131.54 -24.01 2.28 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.658 0.783 . . . . 0.0 110.406 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 33.9 tp -67.76 -40.8 84.01 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.289 1.436 . . . . 0.0 111.813 173.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -53.82 10.23 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -38.62 70.43 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.58 -1.2 . . . . 0.0 111.463 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 52.7 t80 -52.78 -61.15 2.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 120.366 1.439 . . . . 0.0 110.084 172.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -24.55 65.32 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.253 -174.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.65 -71.33 0.21 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.224 2.21 . . . . 0.0 109.421 172.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -49.68 -43.73 47.49 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.782 2.033 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -45.14 -67.32 0.29 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 126.559 1.944 . . . . 0.0 111.398 167.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.54 25.37 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -93.52 -38.86 11.18 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.893 1.277 . . . . 0.0 109.283 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.92 -61.9 1.88 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.171 1.388 . . . . 0.0 107.75 163.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.75 160.1 29.59 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.278 0.631 . . . . 0.0 112.25 -166.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 95.79 -172.1 0.0 OUTLIER 'General case' 0 C--O 1.236 0.391 0 C-N-CA 131.073 3.749 . . . . 0.0 108.727 -161.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.63 110.53 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 128.773 2.829 . . . . 0.0 104.998 175.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -153.36 -74.34 0.13 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 t -175.0 -45.67 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.515 2.326 . . . . 0.0 106.897 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t 75.62 118.09 0.05 Allowed 'General case' 0 C--N 1.346 0.422 0 C-N-CA 126.573 1.949 . . . . 0.0 110.128 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 m -66.29 -34.78 78.77 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 121.329 -0.857 . . . . 0.0 109.843 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 79.46 58.63 2.86 Favored Glycine 0 C--N 1.334 0.446 0 N-CA-C 108.112 -1.995 . . . . 0.0 108.112 -174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.2 163.9 11.89 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 163.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 p -59.1 155.17 35.53 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 122.748 0.419 . . . . 0.0 111.463 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.44 153.92 45.07 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 121.111 1.207 . . . . 0.0 109.605 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.11 179.62 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 125.766 1.626 . . . . 0.0 108.456 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -124.0 138.57 30.85 Favored Pre-proline 0 N--CA 1.449 -0.484 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -76.85 142.35 22.37 Favored 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 123.861 3.041 . . . . 0.0 110.433 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.83 45.88 1.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 124.243 1.017 . . . . 0.0 112.112 -175.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 98.37 3.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 120.883 -1.136 . . . . 0.0 109.738 169.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.6 p -104.17 27.8 7.39 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.161 0.984 . . . . 0.0 111.232 171.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 p -118.31 141.24 48.72 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 120.631 -1.293 . . . . 0.0 108.763 165.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.57 -37.63 89.39 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.941 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.2 ptm -74.26 -26.78 60.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.998 -0.707 . . . . 0.0 112.158 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -81.47 -37.19 28.35 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.298 0.954 . . . . 0.0 111.022 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -55.27 -40.94 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 119.289 0.95 . . . . 0.0 108.821 168.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.57 -64.67 0.84 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.737 0.815 . . . . 0.0 112.246 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 p -58.25 -30.32 66.46 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.345 0.52 . . . . 0.0 111.948 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -65.64 -55.15 19.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.84 -41.11 95.98 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.621 -0.674 . . . . 0.0 110.979 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.66 -26.63 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.933 1.293 . . . . 0.0 111.183 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.27 -4.49 25.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.599 1.159 . . . . 0.0 113.583 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -94.56 -38.77 10.72 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 125.051 1.341 . . . . 0.0 110.681 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -111.17 -56.13 2.41 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.771 1.228 . . . . 0.0 110.708 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 118.49 159.09 11.04 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -166.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.19 -32.57 64.49 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 124.678 1.191 . . . . 0.0 113.834 -162.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -60.13 -74.76 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 119.082 0.855 . . . . 0.0 110.439 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -63.44 -30.2 71.36 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.785 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.9 -6.29 8.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.595 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.461 ' HE1' ' HB1' ' A' ' 144' ' ' ALA . 1.7 t-105 -120.71 -46.35 2.36 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.794 1.179 . . . . 0.0 112.122 156.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.85 -33.52 56.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.313 1.845 . . . . 0.0 114.996 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.99 -48.68 15.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.8 1.64 . . . . 0.0 107.755 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.569 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -54.46 -35.48 63.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.775 2.43 . . . . 0.0 112.887 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.39 -50.75 68.91 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 124.574 1.15 . . . . 0.0 110.396 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -37.04 83.19 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.945 0.498 . . . . 0.0 110.225 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 77.0 m -64.29 -29.91 70.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.887 0.875 . . . . 0.0 110.126 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.443 ' CH2' HD13 ' A' ' 140' ' ' LEU . 5.8 m95 -61.71 -47.38 85.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.52 -0.738 . . . . 0.0 110.17 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -63.57 -32.25 73.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.114 0.966 . . . . 0.0 111.226 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -60.28 -42.11 94.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.215 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 14.9 mtp -81.81 -15.37 54.39 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.018 0.826 . . . . 0.0 111.738 171.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.93 60.92 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.67 1.605 . . . . 0.0 114.301 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.82 78.13 5.28 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 120.332 2.066 . . . . 0.0 110.45 -169.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -55.01 -49.29 71.88 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 125.127 1.371 . . . . 0.0 109.988 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.2 m -62.23 -37.72 86.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.585 0.754 . . . . 0.0 111.347 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.62 HD11 ' CE1' ' A' ' 73' ' ' PHE . 90.2 mt -68.11 -49.53 60.53 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.0 t -53.71 -39.27 65.07 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.923 0.889 . . . . 0.0 110.343 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.9 -56.39 9.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.029 2.132 . . . . 0.0 110.935 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.59 -24.97 64.21 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.35 -0.844 . . . . 0.0 110.816 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.461 ' HB1' ' HE1' ' A' ' 125' ' ' TRP . . . -81.61 0.71 37.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.42 1.488 . . . . 0.0 113.762 174.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -135.57 -4.43 2.3 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 120.184 1.356 . . . . 0.0 112.703 -176.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -64.34 0.4 1.02 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.432 1.493 . . . . 0.0 114.115 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 149.69 -19.93 1.14 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.91 2.195 . . . . 0.0 110.284 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.86 106.76 0.28 Allowed 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 154.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -155.21 -146.85 4.54 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 127.562 2.506 . . . . 0.0 107.57 171.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -127.57 169.86 13.26 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.9 1.28 . . . . 0.0 110.238 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.236 0.347 0 C-N-CA 123.69 0.796 . . . . 0.0 110.82 -166.542 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.6 ptm . . . . . 0 C--O 1.234 0.239 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.59 97.46 0.05 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 171.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 177.32 17.44 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.051 0 CA-C-O 118.456 -1.191 . . . . 0.0 111.872 -156.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.61 -21.22 6.51 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 117.934 1.934 . . . . 0.0 117.934 -151.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . -156.58 29.22 0.33 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.522 1.129 . . . . 0.0 111.353 172.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -146.14 -36.57 0.26 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.357 -169.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.8 -105.69 0.04 OUTLIER Glycine 0 CA--C 1.526 0.72 0 C-N-CA 127.012 2.244 . . . . 0.0 112.988 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -16.55 40.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 117.661 -1.161 . . . . 0.0 113.534 -172.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mp -41.01 -58.05 1.84 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.555 1.542 . . . . 0.0 109.966 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -17.36 62.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.6 -1.191 . . . . 0.0 112.346 -172.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 16.5 t -67.21 -45.03 78.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 120.245 1.384 . . . . 0.0 108.498 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -62.37 -43.49 98.7 Favored 'General case' 0 CA--C 1.523 -0.084 0 O-C-N 121.205 -0.935 . . . . 0.0 109.407 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 9.53 3.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.583 0.753 . . . . 0.0 111.987 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -107.18 -15.07 14.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.319 2.248 . . . . 0.0 110.109 166.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -60.2 2.56 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.256 1.389 . . . . 0.0 107.986 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -89.94 149.54 22.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.862 1.315 . . . . 0.0 110.148 -173.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -116.76 -171.83 2.09 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.506 1.922 . . . . 0.0 107.599 -175.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -60.55 -14.78 21.92 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 117.093 -1.432 . . . . 0.0 114.54 -160.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -49.37 -71.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.512 1.051 . . . . 0.0 109.769 163.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -106.99 -17.51 14.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -160.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.46 -42.81 99.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.207 1.003 . . . . 0.0 109.004 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -69.28 -48.11 62.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 115.809 -2.043 . . . . 0.0 110.113 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.47 -45.86 69.74 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.786 1.63 . . . . 0.0 110.082 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -54.78 -46.05 74.36 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 119.294 0.952 . . . . 0.0 111.569 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.92 -46.92 82.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.035 0.834 . . . . 0.0 111.143 175.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.06 -64.41 0.89 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.398 2.679 . . . . 0.0 109.157 -170.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.5 mt -53.18 -48.53 67.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.989 2.116 . . . . 0.0 110.489 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.76 -56.45 19.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.747 1.219 . . . . 0.0 109.236 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.13 67.61 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.124 -0.985 . . . . 0.0 111.27 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.73 -29.28 40.57 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.376 1.07 . . . . 0.0 111.486 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.2 93.67 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 109.493 163.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.14 59.16 3.22 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.048 1.339 . . . . 0.0 110.935 -176.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.52 124.08 3.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.583 1.953 . . . . 0.0 111.725 164.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 p -153.25 179.88 8.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.902 0.881 . . . . 0.0 108.829 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 50.29 -159.7 0.08 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.309 1.043 . . . . 0.0 108.946 -150.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.5 m -147.2 166.12 27.95 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 162.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.3 m 63.66 161.36 0.1 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.756 1.222 . . . . 0.0 110.166 -154.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m 49.95 -167.87 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.701 0.8 . . . . 0.0 112.012 -161.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.03 -76.87 0.4 Allowed Glycine 0 C--N 1.334 0.471 0 N-CA-C 105.961 -2.856 . . . . 0.0 105.961 169.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.02 135.31 55.46 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 160.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -73.24 164.81 58.22 Favored Pre-proline 0 C--O 1.242 0.691 0 C-N-CA 123.723 0.809 . . . . 0.0 110.676 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -72.4 178.99 5.48 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.416 2.077 . . . . 0.0 110.05 164.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 57.36 64.18 1.67 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.747 2.019 . . . . 0.0 111.881 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -62.05 144.96 93.75 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.754 170.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.64 162.0 30.47 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.306 2.67 . . . . 0.0 111.646 -173.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -109.42 14.47 23.6 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.686 1.594 . . . . 0.0 113.23 -172.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -83.58 153.75 24.16 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 168.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.9 p -144.37 -1.78 0.91 Allowed 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.688 1.195 . . . . 0.0 113.348 -173.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 m -123.93 141.19 52.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 118.49 0.587 . . . . 0.0 109.789 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.76 -53.95 9.63 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 125.484 1.516 . . . . 0.0 113.015 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.9 ptp -54.26 -27.93 38.26 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.474 1.51 . . . . 0.0 114.302 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.07 -34.32 10.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.435 1.016 . . . . 0.0 110.983 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.45 -40.03 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 167.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -60.88 3.16 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.906 1.23 . . . . 0.0 111.551 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p -63.02 -24.67 68.03 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.708 -0.62 . . . . 0.0 112.061 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -74.11 -42.88 59.37 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.378 1.071 . . . . 0.0 109.56 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.38 -48.96 79.66 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.723 1.209 . . . . 0.0 110.309 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 63' ' ' ALA . 58.0 t -53.96 -44.94 63.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.919 0.887 . . . . 0.0 109.744 172.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.54 -59.82 4.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.31 0.959 . . . . 0.0 110.339 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.03 -40.95 97.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 113.145 -169.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -119.78 -24.01 6.3 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 97.17 158.17 30.98 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -168.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -27.84 58.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.847 1.659 . . . . 0.0 115.009 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.34 -74.99 0.09 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.42 1.088 . . . . 0.0 110.354 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.17 -24.61 66.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.876 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.87 -18.9 25.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.078 -0.963 . . . . 0.0 112.298 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.79 -56.97 2.28 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 118.951 0.796 . . . . 0.0 110.408 162.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.33 -29.96 6.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.736 2.014 . . . . 0.0 116.396 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.82 -53.62 4.66 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 169.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.74 -26.19 22.24 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.323 1.449 . . . . 0.0 114.3 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.78 -40.28 79.45 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 127.317 2.247 . . . . 0.0 110.068 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -20.97 53.77 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.283 0.947 . . . . 0.0 112.697 -166.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 58.4 p -62.49 -25.53 68.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.286 1.434 . . . . 0.0 110.59 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -58.43 -39.21 79.18 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.95 -36.87 64.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.597 1.159 . . . . 0.0 108.699 -170.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.11 -55.15 6.02 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.274 1.03 . . . . 0.0 111.956 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 53.7 mtp -73.82 -18.0 61.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.967 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.86 6.91 69.13 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.354 1.931 . . . . 0.0 115.269 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.2 95.59 5.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.572 2.186 . . . . 0.0 111.003 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.77 -59.06 5.24 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.083 1.353 . . . . 0.0 110.9 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.0 t -67.12 -18.85 65.48 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.857 -170.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 22.4 mt -69.37 -62.35 1.41 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.494 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 19.0 t -50.5 -39.15 47.74 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 118.573 0.624 . . . . 0.0 112.095 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.01 -83.41 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.898 2.079 . . . . 0.0 109.127 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.52 -25.2 67.91 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.515 -1.366 . . . . 0.0 113.751 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.26 -24.28 18.13 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.053 0.941 . . . . 0.0 112.723 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -139.66 26.34 2.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.247 1.419 . . . . 0.0 110.982 -163.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -128.63 38.49 3.95 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.616 -1.303 . . . . 0.0 112.259 -175.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 82.63 6.75 88.26 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 126.161 1.839 . . . . 0.0 113.303 170.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.41 7.79 0.74 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.003 2.121 . . . . 0.0 115.747 -163.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -43.1 131.97 5.44 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 126.022 1.772 . . . . 0.0 112.728 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 48.33 173.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 130.224 3.41 . . . . 0.0 117.273 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 -172.749 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 122.816 1.293 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.77 140.37 44.26 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 128.888 2.875 . . . . 0.0 106.404 173.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.01 70.11 1.35 Allowed Glycine 0 N--CA 1.435 -1.388 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -48.41 -43.1 26.97 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 162.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.461 ' HB3' HG11 ' A' ' 116' ' ' VAL . . . -162.45 31.38 0.11 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.732 0.813 . . . . 0.0 111.913 -170.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -146.26 -64.71 0.3 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.031 -1.043 . . . . 0.0 109.163 -176.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.76 -101.01 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 126.31 1.91 . . . . 0.0 111.718 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -54.44 -26.03 28.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 117.845 -1.074 . . . . 0.0 113.148 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -49.73 -51.32 39.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.123 1.328 . . . . 0.0 110.587 169.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -21.81 65.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 117.754 -1.117 . . . . 0.0 111.396 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.64 -43.79 62.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.971 1.26 . . . . 0.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.49 -42.04 91.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.884 -1.135 . . . . 0.0 108.681 168.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.69 8.07 2.63 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -110.7 -8.0 14.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.547 1.939 . . . . 0.0 110.996 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -59.25 2.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 169.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.82 165.1 25.52 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 125.39 1.476 . . . . 0.0 111.144 -174.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.26 -169.85 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.009 1.323 . . . . 0.0 111.58 -175.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -53.11 -11.64 0.28 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.61 -66.14 0.59 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.98 0.912 . . . . 0.0 109.585 163.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -104.21 -22.58 13.37 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.611 -0.68 . . . . 0.0 109.596 -157.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.485 HD21 ' HA2' ' A' ' 108' ' ' GLY . 2.8 tm? -58.02 -41.01 82.23 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.655 1.182 . . . . 0.0 109.333 167.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -66.36 0.53 Allowed 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 125.415 1.486 . . . . 0.0 110.079 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.61 71.33 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.92 0.782 . . . . 0.0 110.818 -172.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' HZ ' ' HB1' ' A' ' 128' ' ' ALA . 56.2 t80 -55.43 -60.52 3.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.644 1.111 . . . . 0.0 111.278 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -68.46 -28.1 66.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.527 -0.733 . . . . 0.0 111.289 -171.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.39 -65.63 0.65 Allowed 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 126.871 2.068 . . . . 0.0 109.274 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.45 -41.18 89.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.266 1.026 . . . . 0.0 111.376 -176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.73 -50.85 71.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.009 0.924 . . . . 0.0 108.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.31 -29.4 70.48 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 118.976 -0.535 . . . . 0.0 111.898 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -68.48 -49.09 62.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.71 0.686 . . . . 0.0 109.961 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -60.76 2.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 128.298 2.639 . . . . 0.0 110.366 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.57 95.82 1.12 Allowed 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.44 102.44 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.942 1.297 . . . . 0.0 110.492 175.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.9 p -151.4 164.81 35.89 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 61.04 -55.31 0.1 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 127.293 2.237 . . . . 0.0 112.1 -164.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 p -57.22 87.79 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.192 2.197 . . . . 0.0 111.457 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 p -156.0 -52.45 0.08 Allowed 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.556 -0.715 . . . . 0.0 110.458 -171.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.1 m -130.13 -2.93 4.51 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.309 0.643 . . . . 0.0 112.058 -168.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.06 -8.22 6.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.258 1.408 . . . . 0.0 114.794 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -79.1 102.69 8.56 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.147 1.779 . . . . 0.0 111.319 -168.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.266 0.3 OUTLIER 70.35 166.45 0.13 Allowed Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 126.027 1.731 . . . . 0.0 113.923 163.617 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.35 168.71 23.49 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.08 3.186 . . . . 0.0 111.336 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.43 74.3 0.61 Allowed 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -90.52 138.62 26.7 Favored Pre-proline 0 C--O 1.239 0.53 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.62 162.84 34.96 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 124.145 3.23 . . . . 0.0 110.162 169.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -126.01 22.47 7.33 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.263 1.425 . . . . 0.0 112.16 -167.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -126.77 147.48 49.99 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 123.88 0.872 . . . . 0.0 109.581 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.9 p -144.42 14.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.448 1.099 . . . . 0.0 111.955 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 m -136.87 148.83 47.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.485 ' HA2' HD21 ' A' ' 79' ' ' LEU . . . -59.07 -45.96 94.48 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 124.195 0.902 . . . . 0.0 112.378 -165.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ptp -66.17 -23.97 66.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.929 -0.748 . . . . 0.0 111.725 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -89.89 -35.95 15.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.618 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.4 HG22 ' HA2' ' A' ' 108' ' ' GLY . 28.6 m -67.66 -33.42 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 119.826 1.193 . . . . 0.0 109.833 169.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.21 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.175 -0.953 . . . . 0.0 111.233 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.8 t -52.8 -37.99 60.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.042 0.937 . . . . 0.0 111.222 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.87 75.93 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.687 1.195 . . . . 0.0 110.335 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.58 -32.27 60.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.473 -0.767 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.461 HG11 ' HB3' ' A' ' 63' ' ' ALA . 86.9 t -64.23 -42.41 95.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.37 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.954 0.797 . . . . 0.0 111.278 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -68.0 -55.38 12.84 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.665 174.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 123' ' ' ARG . 20.9 m-85 -133.75 -2.67 2.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 117.778 2.51 . . . . 0.0 117.778 -162.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.25 167.49 24.82 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 120.818 1.644 . . . . 0.0 112.24 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.97 42.97 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.73 2.012 . . . . 0.0 114.132 -170.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -64.52 -83.97 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 119.226 0.921 . . . . 0.0 108.558 167.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.412 ' HB2' ' HB3' ' A' ' 119' ' ' TYR . 4.5 mpt_? -63.29 -28.66 70.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.633 -0.667 . . . . 0.0 111.699 -169.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.89 -11.43 18.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.586 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.23 -52.5 2.17 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.828 164.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -45.7 -42.47 11.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.867 2.067 . . . . 0.0 114.092 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -46.8 13.6 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.517 ' HB1' ' HZ ' ' A' ' 82' ' ' PHE . . . -49.98 -37.11 30.96 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.817 2.047 . . . . 0.0 113.047 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -45.68 84.27 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 126.18 1.792 . . . . 0.0 110.524 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -34.49 73.32 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.826 0.45 . . . . 0.0 110.737 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -68.89 -16.76 63.85 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.991 -1.068 . . . . 0.0 110.576 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -73.44 -31.3 63.74 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.259 -0.9 . . . . 0.0 111.744 167.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -43.92 81.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.723 171.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -52.9 -62.53 1.59 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.561 1.144 . . . . 0.0 110.303 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.438 ' HB3' HD23 ' A' ' 137' ' ' LEU . 38.5 mtp -72.16 -8.39 54.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 118.827 -0.606 . . . . 0.0 112.088 -175.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.9 14.32 82.73 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 119.826 1.194 . . . . 0.0 113.792 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 135' ' ' MET . 4.5 mm? -78.86 69.57 5.05 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 126.455 1.902 . . . . 0.0 108.708 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -67.86 -28.17 67.32 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 117.028 -1.463 . . . . 0.0 111.826 -175.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.1 m -57.5 -47.15 82.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.267 1.394 . . . . 0.0 109.895 171.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.7 mt -67.25 -46.62 73.17 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.108 0.563 . . . . 0.0 111.147 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.85 -46.12 88.48 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.876 0.87 . . . . 0.0 109.902 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.82 -63.01 1.45 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.483 1.513 . . . . 0.0 109.337 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.89 -28.89 67.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.682 1.128 . . . . 0.0 113.428 -173.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.99 58.14 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -138.24 22.45 2.78 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.086 2.555 . . . . 0.0 109.287 -171.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -139.29 66.33 1.41 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.455 1.502 . . . . 0.0 109.38 -177.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.87 14.17 63.37 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 118.879 -0.956 . . . . 0.0 113.205 175.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -143.17 54.09 1.36 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.785 1.293 . . . . 0.0 109.995 172.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -61.61 -63.14 5.08 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.85 -76.11 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.941 1.697 . . . . 0.0 109.253 -164.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.45 -0.468 0 C-N-CA 125.871 1.668 . . . . 0.0 107.831 163.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.7 mmm . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -142.48 109.87 5.68 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 127.582 2.353 . . . . 0.0 105.371 170.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.71 -10.23 2.65 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-O 119.384 -0.676 . . . . 0.0 114.222 -169.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.48 -49.85 0.83 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.62 -8.04 0.27 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 39.7 p-90 -110.22 12.01 23.43 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -150.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.53 -17.88 57.81 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.444 -1.198 . . . . 0.0 115.164 -172.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.09 -36.75 9.59 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.093 1.947 . . . . 0.0 110.764 166.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.46 -45.62 73.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.113 1.324 . . . . 0.0 109.783 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.37 70.29 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.058 -0.972 . . . . 0.0 112.393 175.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -64.51 -41.81 96.19 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.053 1.297 . . . . 0.0 110.293 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -58.23 -53.87 53.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.86 -4.24 4.24 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.123 2.169 . . . . 0.0 113.647 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -91.47 -17.16 26.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.394 1.477 . . . . 0.0 111.069 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.637 ' HE1' HD11 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -77.44 -55.44 5.38 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.583 1.538 . . . . 0.0 110.234 -179.083 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -67.54 157.58 34.0 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.856 1.262 . . . . 0.0 110.748 177.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -120.23 -172.45 2.36 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.766 1.627 . . . . 0.0 107.363 169.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 106' ' ' THR . 3.4 mptt -53.04 -15.57 0.85 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -175.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.88 -37.63 32.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.02 2.128 . . . . 0.0 112.187 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.42 -6.15 0.48 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.402 0.681 . . . . 0.0 111.921 169.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.95 -40.09 75.77 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 119.481 -2.012 . . . . 0.0 111.201 165.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -57.81 -55.41 35.26 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 173.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -54.47 -38.81 66.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.296 1.038 . . . . 0.0 111.023 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -56.27 -61.3 2.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.531 1.06 . . . . 0.0 110.033 172.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -27.52 67.25 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.257 0.935 . . . . 0.0 112.81 -172.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -63.08 -68.11 0.37 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 129.464 3.105 . . . . 0.0 108.749 172.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.33 -47.1 86.67 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.331 1.452 . . . . 0.0 109.375 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -50.75 -52.41 40.88 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.33 1.452 . . . . 0.0 111.14 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.29 -21.68 65.67 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.495 -0.753 . . . . 0.0 112.194 -176.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -88.31 -45.33 10.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.14 0.976 . . . . 0.0 109.988 -176.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -61.94 1.98 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.777 2.031 . . . . 0.0 109.745 170.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.91 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.23 2.212 . . . . 0.0 113.648 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.38 45.85 1.3 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.217 1.007 . . . . 0.0 109.629 171.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -142.5 151.5 41.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.14 0.976 . . . . 0.0 109.84 -173.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -146.07 -20.36 0.45 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.613 1.165 . . . . 0.0 112.138 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.3 p -144.2 75.3 1.46 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.381 1.072 . . . . 0.0 108.129 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.4 m 66.64 -45.27 0.44 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.592 2.757 . . . . 0.0 115.132 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.0 -86.2 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.829 2.051 . . . . 0.0 109.193 -163.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.77 9.9 0.02 OUTLIER Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.57 1.081 . . . . 0.0 112.825 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -70.24 164.27 24.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.798 1.299 . . . . 0.0 110.413 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.43 148.16 38.21 Favored Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.49 155.87 67.54 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 121.19 1.26 . . . . 0.0 110.878 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.56 168.19 26.71 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 127.622 2.369 . . . . 0.0 107.354 173.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -134.98 148.67 67.84 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 123.779 0.832 . . . . 0.0 110.502 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.96 160.44 43.11 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.795 2.997 . . . . 0.0 113.553 -174.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -139.52 72.64 1.4 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.774 1.63 . . . . 0.0 107.256 163.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.449 ' HE3' ' CG ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -162.6 127.35 3.18 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.144 -0.973 . . . . 0.0 110.509 179.127 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.432 ' O ' ' HE3' ' A' ' 76' ' ' LYS 0.267 2.2 t -133.07 16.23 4.17 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.558 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.41 152.63 20.5 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 119.932 -1.73 . . . . 0.0 107.6 159.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.5 -35.23 74.89 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 169.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ptp -68.44 -7.62 33.44 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.694 -1.474 . . . . 0.0 113.105 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -99.09 -29.91 12.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.232 1.413 . . . . 0.0 111.338 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.95 -27.75 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 119.662 -1.899 . . . . 0.0 110.8 168.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -61.03 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.119 1.368 . . . . 0.0 112.396 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 p -56.69 -31.24 64.27 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.449 ' CG ' ' HE3' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -68.97 -40.03 79.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.851 0.75 . . . . 0.0 111.138 179.577 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.52 -44.47 82.41 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.792 -0.567 . . . . 0.0 109.512 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 10.4 t -67.39 -31.8 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 122.941 0.496 . . . . 0.0 110.473 173.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.55 87.92 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.152 -0.968 . . . . 0.0 111.788 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -74.73 -58.29 3.38 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.681 -0.637 . . . . 0.0 110.858 175.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.68 6.64 6.79 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -162.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 116' ' ' VAL . . . 70.58 -106.85 1.97 Allowed Glycine 0 C--O 1.216 -0.999 0 CA-C-O 123.031 1.351 . . . . 0.0 111.353 -178.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -120.61 -46.18 2.38 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.513 -2.169 . . . . 0.0 110.458 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -52.7 -82.77 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 -174.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -19.18 64.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.657 1.117 . . . . 0.0 111.354 177.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -17.51 63.72 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 120.168 1.349 . . . . 0.0 111.824 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -54.9 2.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 124.051 0.94 . . . . 0.0 108.82 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.12 -37.51 15.58 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.731 1.605 . . . . 0.0 114.889 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -56.19 4.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 172.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.78 24.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -52.47 -38.93 60.48 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 128.406 2.682 . . . . 0.0 111.445 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -53.09 -34.77 58.11 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -12.75 61.04 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.706 -1.246 . . . . 0.0 110.986 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.519 ' CH2' HD13 ' A' ' 140' ' ' LEU . 7.4 m95 -78.85 -18.35 54.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 120.69 -1.256 . . . . 0.0 112.565 169.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.03 -57.2 12.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 161.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.35 -50.31 74.12 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.775 1.23 . . . . 0.0 112.312 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.425 ' HB3' HD23 ' A' ' 137' ' ' LEU . 42.2 mtp -84.29 -12.24 55.0 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.414 -0.804 . . . . 0.0 112.802 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.29 7.3 88.56 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 119.338 0.972 . . . . 0.0 115.406 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 135' ' ' MET . 3.9 mm? -79.32 80.85 5.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.127 1.464 . . . . 0.0 108.539 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -55.09 -46.42 75.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.498 177.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.1 p -46.87 -53.35 12.32 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 126.473 1.909 . . . . 0.0 111.183 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.637 HD11 ' HE1' ' A' ' 73' ' ' PHE . 89.5 mt -68.34 -40.71 81.48 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.754 -0.591 . . . . 0.0 110.864 -174.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . . . . . . . . . 20.6 t -60.59 -43.84 96.9 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.271 0.487 . . . . 0.0 110.414 173.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.88 -63.55 1.06 Allowed 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.397 1.479 . . . . 0.0 108.88 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -53.54 -26.04 19.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.478 1.49 . . . . 0.0 113.152 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.65 63.58 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.14 1.336 . . . . 0.0 113.126 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -142.82 8.55 1.71 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 120.822 1.646 . . . . 0.0 112.747 -163.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -103.58 19.31 20.05 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.095 1.758 . . . . 0.0 110.349 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.4 31.0 75.84 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 125.052 1.311 . . . . 0.0 110.575 -171.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 55.86 6.37 0.21 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.003 2.121 . . . . 0.0 114.533 -166.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 81.7 65.97 1.62 Allowed Glycine 0 C--N 1.334 0.458 0 N-CA-C 107.439 -2.265 . . . . 0.0 107.439 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -146.29 -22.58 0.44 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 117.298 -1.334 . . . . 0.0 114.452 -171.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 C--O 1.24 0.59 0 CA-C-N 120.318 1.417 . . . . 0.0 109.859 -175.748 . . . . . . . . 0 0 . 1 stop_ save_