data_6qf8_residue ############################ # Computer software used # ############################ 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 6qf8 _Structure_validation_residue.Date_analyzed 2019-04-05 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 ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 CA--C 1.555 1.171 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -106.73 124.09 49.1 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.82 152.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -105.29 138.74 41.02 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-O 123.313 1.53 . . . . 0.0 109.1 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.17 120.71 65.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 O-C-N 120.468 -1.395 . . . . 0.0 107.919 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -97.32 111.18 23.54 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.08 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -67.23 162.75 21.91 Favored 'General case' 0 C--N 1.411 3.278 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.98 -38.53 91.28 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 117.303 2.335 . . . . 0.0 117.303 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p -79.01 -15.02 58.83 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 168.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.68 27.99 2.2 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 118.959 2.343 . . . . 0.0 118.959 157.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -92.52 159.18 15.63 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 m -104.64 130.11 52.69 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 pt -116.96 145.44 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 CA-C-O 122.474 1.13 . . . . 0.0 110.299 161.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -110.85 122.86 48.91 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.902 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 mt -117.22 133.17 56.31 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 109.354 -174.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.79 113.37 22.56 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.532 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -128.56 172.53 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.686 1.195 . . . . 0.0 112.839 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.26 158.26 41.67 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -58.76 -32.87 97.9 Favored 'Trans proline' 0 N--CA 1.518 2.961 0 C-N-CA 120.96 1.107 . . . . 0.0 114.632 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -81.42 0.53 37.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 127.042 2.714 . . . . 0.0 115.902 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -74.09 131.15 41.04 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 125.016 2.341 . . . . 0.0 111.495 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.1 p -75.86 155.21 35.52 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.805 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.91 -35.69 52.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.229 0 CA-C-N 110.337 -3.12 . . . . 0.0 111.493 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.45 -45.17 55.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 127.446 2.966 . . . . 0.0 112.873 165.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.69 -30.99 24.35 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 118.298 -2.751 . . . . 0.0 109.565 -172.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.76 -34.41 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.975 0 CA-C-N 119.724 1.147 . . . . 0.0 111.988 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -66.67 -34.89 78.87 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.502 -0.749 . . . . 0.0 111.331 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.29 96.87 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.605 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -60.6 -38.28 84.16 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 167.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.91 -42.9 94.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-N 120.191 1.359 . . . . 0.0 111.406 166.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -57.36 -43.82 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 121.607 2.003 . . . . 0.0 111.3 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -53.5 -61.93 1.98 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -62.24 -50.84 70.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.118 1.767 . . . . 0.0 111.805 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -98.94 -12.36 20.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.097 2.999 . . . . 0.0 119.097 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.86 78.44 Favored Glycine 0 C--O 1.175 -3.542 0 O-C-N 118.795 -2.441 . . . . 0.0 115.027 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.56 118.91 60.04 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 119.038 -2.448 . . . . 0.0 110.225 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -46.92 135.75 17.59 Favored 'Trans proline' 1 N--CA 1.548 4.69 0 CA-C-N 123.593 2.319 . . . . 0.0 117.739 167.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -50.37 -36.79 49.04 Favored 'Trans proline' 0 C--O 1.208 -0.994 0 C-N-CA 122.27 1.98 . . . . 0.0 116.754 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.22 -39.01 13.18 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 129.227 4.079 . . . . 0.0 112.0 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -97.21 8.54 44.34 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 124.783 1.302 . . . . 0.0 111.837 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -106.01 138.73 41.69 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.967 1.307 . . . . 0.0 110.301 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -125.11 137.11 54.18 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.602 1.561 . . . . 0.0 107.454 161.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -112.73 140.01 47.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.329 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.35 148.16 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.809 0 O-C-N 125.119 1.512 . . . . 0.0 113.097 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -141.28 130.27 23.22 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.594 1.557 . . . . 0.0 112.015 160.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.78 39.76 30.75 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.439 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.64 13.57 74.76 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 120.606 -1.309 . . . . 0.0 115.124 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -123.21 128.14 49.6 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 122.816 -0.226 . . . . 0.0 111.55 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -74.92 153.5 38.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 118.819 -1.153 . . . . 0.0 112.7 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.2 mt -108.85 126.93 53.58 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.933 0.873 . . . . 0.0 112.686 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.84 134.83 47.66 Favored 'General case' 0 C--N 1.378 1.806 0 C-N-CA 124.668 1.187 . . . . 0.0 113.012 170.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -58.28 -32.7 68.65 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.344 1.858 . . . . 0.0 113.919 -170.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.57 -10.67 81.33 Favored Glycine 0 C--O 1.194 -2.364 0 C-N-CA 124.487 1.042 . . . . 0.0 111.659 -172.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -89.27 141.84 28.18 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 119.882 -1.952 . . . . 0.0 110.561 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 65.9 p -82.16 172.63 12.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 124.207 1.956 . . . . 0.0 116.094 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.85 -28.58 66.22 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.707 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -91.35 -6.97 52.18 Favored 'General case' 0 N--CA 1.507 2.4 0 C-N-CA 125.346 1.458 . . . . 0.0 110.595 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -94.8 -13.39 25.65 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 167.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -101.69 6.58 41.95 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 115.728 -2.082 . . . . 0.0 110.896 160.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 53.39 48.32 22.17 Favored 'General case' 0 N--CA 1.415 -2.216 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mm -88.43 114.32 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.705 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . 0.264 16.3 mm100 -100.08 162.87 12.7 Favored 'General case' 0 C--O 1.194 -1.818 0 O-C-N 118.185 -2.822 . . . . 0.0 107.997 166.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 155.77 2.55 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -174.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.273 45.2 mt-10 78.26 1.97 2.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -79.8 137.72 37.05 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.9 m -93.97 111.29 22.98 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 126.844 2.59 . . . . 0.0 106.855 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.41 148.39 22.28 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 110.446 -3.07 . . . . 0.0 103.146 163.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.2 131.94 55.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.951 -1.718 . . . . 0.0 109.833 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -98.35 130.32 45.01 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.097 0.873 . . . . 0.0 112.745 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 CA--C 1.51 -0.566 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 178.065 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.219 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.59 139.69 51.4 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 124.205 1.955 . . . . 0.0 115.707 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -128.07 167.28 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.874 0 O-C-N 120.927 -1.108 . . . . 0.0 109.058 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -125.48 130.11 51.14 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.277 -0.889 . . . . 0.0 110.207 -165.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -117.94 128.43 75.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 0 C-N-CA 125.194 1.398 . . . . 0.0 109.434 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -92.06 124.09 35.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 126.688 2.493 . . . . 0.0 108.746 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -82.56 -169.36 2.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.613 -161.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -20.46 64.71 Favored 'General case' 0 C--O 1.26 1.629 0 O-C-N 118.511 -2.618 . . . . 0.0 111.123 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 m -94.37 -23.93 17.59 Favored 'General case' 0 CA--C 1.585 2.311 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.48 -5.11 19.38 Favored Glycine 1 N--CA 1.524 4.533 0 C-N-CA 130.442 3.877 . . . . 0.0 113.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -70.04 157.98 36.52 Favored 'General case' 0 C--N 1.388 2.279 0 C-N-CA 125.785 1.634 . . . . 0.0 107.417 -171.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -111.37 121.57 45.57 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 123.252 1.501 . . . . 0.0 109.585 -172.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -122.03 135.22 62.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -107.44 126.51 52.59 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 mt -118.31 134.63 54.87 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -100.78 131.24 46.76 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 115.762 -2.066 . . . . 0.0 105.511 -172.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 m -159.87 155.59 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 125.306 1.629 . . . . 0.0 110.365 -160.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.25 31.7 mt-10 -93.34 145.06 29.31 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 102.902 -2.999 . . . . 0.0 102.902 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -43.89 -27.17 1.56 Allowed 'Trans proline' 1 C--N 1.26 -4.089 0 N-CA-C 121.262 3.524 . . . . 0.0 121.262 158.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p -79.86 -14.8 58.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 126.85 2.594 . . . . 0.0 108.994 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -66.45 142.25 57.63 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-O 124.18 1.943 . . . . 0.0 111.263 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.9 p -86.63 155.92 20.23 Favored 'General case' 0 CA--C 1.474 -1.978 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.1 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.65 -31.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 125.332 1.645 . . . . 0.0 110.608 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.0 -38.66 76.55 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.057 -2.277 . . . . 0.0 114.394 165.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.28 -42.2 65.82 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 124.28 1.032 . . . . 0.0 110.852 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -58.65 -35.4 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 CA-C-N 120.158 1.344 . . . . 0.0 110.846 173.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -70.92 -32.57 69.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 119.413 -2.054 . . . . 0.0 116.35 170.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.68 95.28 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.521 1.763 . . . . 0.0 112.111 168.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -61.37 -42.36 98.59 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 116.276 -1.821 . . . . 0.0 115.099 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 tp -64.23 -36.44 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 167.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.23 -46.31 90.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 118.629 -2.544 . . . . 0.0 112.008 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -58.3 -48.3 80.94 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 125.099 1.5 . . . . 0.0 111.39 170.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -75.85 -34.74 60.07 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -134.97 4.69 3.27 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 119.19 -2.194 . . . . 0.0 113.001 -168.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 39.01 73.77 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-O 116.757 -2.135 . . . . 0.0 114.163 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.3 135.49 24.32 Favored Pre-proline 0 CA--C 1.598 2.793 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.586 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.22 110.9 0.61 Allowed 'Trans proline' 1 N--CA 1.542 4.367 0 C-N-CA 125.076 3.85 . . . . 0.0 108.462 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -72.11 -43.66 1.08 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 N-CA-C 116.429 1.665 . . . . 0.0 116.429 -161.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.23 -13.48 58.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 127.656 3.098 . . . . 0.0 112.975 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -79.1 -26.56 42.95 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 127.099 2.16 . . . . 0.0 114.069 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.93 154.29 18.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-O 124.47 2.081 . . . . 0.0 110.772 173.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -122.55 131.9 54.05 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-N 110.995 -2.821 . . . . 0.0 105.77 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 43' ' ' LEU . 16.6 mt -77.1 132.42 38.86 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 124.512 2.101 . . . . 0.0 113.856 169.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mm -109.1 137.23 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.991 -2.368 . . . . 0.0 106.718 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -132.41 134.03 44.63 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 123.281 1.515 . . . . 0.0 109.899 168.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.259 . . 50.03 35.01 8.98 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 118.304 -2.747 . . . . 0.0 115.46 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -12.5 58.97 Favored Glycine 0 C--N 1.361 1.939 0 C-N-CA 124.973 1.273 . . . . 0.0 110.641 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -130.03 135.14 47.93 Favored 'General case' 0 C--O 1.197 -1.667 0 CA-C-O 123.429 1.585 . . . . 0.0 112.784 -162.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.72 151.75 44.55 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 113.044 -1.889 . . . . 0.0 110.507 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -115.51 130.23 56.81 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 112.929 -1.942 . . . . 0.0 108.025 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.51 138.59 32.69 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.117 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -54.77 -46.38 74.39 Favored 'General case' 0 C--O 1.258 1.541 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -166.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.41 -10.18 86.41 Favored Glycine 0 CA--C 1.566 3.243 0 CA-C-N 119.212 0.914 . . . . 0.0 115.119 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -82.8 161.31 22.03 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 126.005 1.65 . . . . 0.0 111.797 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 p -103.19 168.74 8.98 Favored 'General case' 0 C--N 1.371 1.509 0 O-C-N 121.144 -0.973 . . . . 0.0 110.489 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.39 -31.9 72.43 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 119.509 -0.876 . . . . 0.0 112.646 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 t -74.78 -28.06 60.59 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 123.641 0.776 . . . . 0.0 112.369 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.94 -48.15 80.77 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.84 1.781 . . . . 0.0 110.133 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -82.45 -17.56 44.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 112.815 -1.993 . . . . 0.0 114.241 176.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 69.1 53.45 0.46 Allowed 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 125.51 1.524 . . . . 0.0 112.69 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -99.37 116.36 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 O-C-N 118.92 -2.362 . . . . 0.0 109.547 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -94.26 162.44 13.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.33 0.0 OUTLIER -42.97 150.24 0.17 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 178.564 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.294 40.1 mt-10 65.35 21.68 11.96 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 113.096 -1.866 . . . . 0.0 115.554 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -86.79 148.71 25.29 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.6 m -99.2 118.16 35.29 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 124.82 2.247 . . . . 0.0 115.233 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mp -108.62 147.07 32.4 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 119.458 -2.026 . . . . 0.0 107.985 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -108.67 134.74 51.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.2 134.89 35.32 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.969 0.89 . . . . 0.0 111.13 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.25 1.4 p . . . . . 0 N--CA 1.501 2.077 0 O-C-N 119.711 -1.868 . . . . 0.0 110.712 169.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 116.961 -1.495 . . . . 0.0 108.667 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -85.08 137.7 32.88 Favored 'General case' 0 C--O 1.181 -2.513 0 CA-C-N 119.753 1.16 . . . . 0.0 112.184 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 pt -138.4 161.05 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.496 0 O-C-N 125.961 2.038 . . . . 0.0 111.426 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.2 m-85 -127.87 128.09 44.56 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 114.371 -1.286 . . . . 0.0 107.692 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.65 129.49 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -87.72 100.37 12.78 Favored 'General case' 0 C--N 1.282 -2.352 0 O-C-N 125.582 1.802 . . . . 0.0 109.322 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 p -65.76 160.52 22.8 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.582 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.66 -45.36 63.35 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 125.951 2.032 . . . . 0.0 112.98 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -87.28 -8.0 57.23 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -163.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 26.0 4.54 Favored Glycine 0 C--N 1.363 2.037 0 CA-C-O 117.847 -1.529 . . . . 0.0 115.133 163.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -100.48 133.77 44.42 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 118.314 1.057 . . . . 0.0 110.105 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -84.74 106.67 16.46 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 123.777 0.673 . . . . 0.0 111.174 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 mm -101.75 120.1 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -171.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -82.7 135.04 35.12 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.006 -1.683 . . . . 0.0 108.997 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.12 164.32 31.01 Favored 'General case' 0 C--N 1.382 1.996 0 O-C-N 124.291 0.994 . . . . 0.0 112.092 170.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -121.45 124.83 45.41 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 123.708 1.718 . . . . 0.0 108.289 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.3 t -126.73 133.07 69.39 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 CA-C-N 112.837 -1.983 . . . . 0.0 109.167 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -59.76 123.98 74.11 Favored Pre-proline 0 N--CA 1.411 -2.382 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.885 164.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -73.95 0.98 7.61 Favored 'Trans proline' 0 CA--C 1.48 -2.184 0 N-CA-C 115.194 1.19 . . . . 0.0 115.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.32 -1.09 42.55 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 118.72 -1.192 . . . . 0.0 111.282 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -76.1 168.97 19.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.511 -1.368 . . . . 0.0 108.782 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.2 p -81.2 153.84 26.98 Favored 'General case' 0 CA--C 1.567 1.602 0 O-C-N 124.947 1.404 . . . . 0.0 110.353 171.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 mm -52.08 -32.12 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.966 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.85 -32.05 60.19 Favored 'General case' 0 N--CA 1.524 3.228 0 CA-C-O 124.11 1.91 . . . . 0.0 112.069 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -57.3 -40.71 78.42 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 118.723 -2.485 . . . . 0.0 115.655 173.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.53 -42.06 92.55 Favored 'Isoleucine or valine' 0 C--N 1.376 1.725 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -63.2 -38.57 91.7 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.03 82.6 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -64.74 -44.42 90.19 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 116.315 -1.802 . . . . 0.0 111.606 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.4 -35.13 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 CA-C-N 120.094 1.316 . . . . 0.0 111.848 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -60.45 -43.64 96.66 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 116.837 -1.554 . . . . 0.0 112.329 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -64.43 -53.03 54.73 Favored 'General case' 0 C--N 1.396 2.608 0 C-N-CA 125.651 1.58 . . . . 0.0 112.195 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -55.6 -48.66 74.51 Favored 'General case' 0 C--O 1.274 2.353 0 CA-C-O 125.143 2.402 . . . . 0.0 115.147 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -121.93 -8.15 8.89 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -165.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.76 18.2 79.14 Favored Glycine 0 N--CA 1.487 2.096 0 CA-C-N 120.634 1.561 . . . . 0.0 115.781 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mt -88.98 121.81 69.4 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 115.551 -2.166 . . . . 0.0 111.449 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.67 136.95 72.97 Favored 'Trans proline' 0 N--CA 1.507 2.291 0 C-N-CA 122.819 2.346 . . . . 0.0 111.822 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -80.42 -19.29 9.09 Favored 'Trans proline' 0 N--CA 1.517 2.888 0 CA-C-N 122.846 2.052 . . . . 0.0 115.783 -171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -68.22 -34.03 75.5 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 116.337 1.976 . . . . 0.0 116.337 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -79.63 -11.67 59.86 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.694 -1.594 . . . . 0.0 113.248 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -78.39 139.46 38.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 123.403 1.573 . . . . 0.0 111.682 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' HB2' HG22 ' A' ' 70' ' ' VAL . 23.0 mmt85 -124.12 121.79 36.09 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 169.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.5 mt -95.83 140.49 30.53 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 126.302 2.251 . . . . 0.0 108.007 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.73 129.21 68.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -134.77 137.19 43.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 101.573 -3.491 . . . . 0.0 101.573 162.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 33.73 68.03 0.18 Allowed 'General case' 0 C--N 1.366 1.284 0 N-CA-C 121.178 3.77 . . . . 0.0 121.178 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.89 -20.91 44.59 Favored Glycine 0 N--CA 1.484 1.843 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 161.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -128.97 138.83 52.19 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-N 118.766 1.283 . . . . 0.0 113.248 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -73.13 121.14 19.75 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.65 137.36 58.06 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 128.113 2.565 . . . . 0.0 107.214 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -99.23 137.96 36.99 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-O 123.061 1.41 . . . . 0.0 107.471 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -52.23 -44.34 64.77 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -166.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.63 87.49 Favored Glycine 0 N--CA 1.487 2.098 0 O-C-N 126.992 2.683 . . . . 0.0 118.137 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 mtt-85 -91.26 172.73 8.34 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 118.7 1.25 . . . . 0.0 108.638 -176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.6 p -97.25 160.37 14.37 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 118.452 0.569 . . . . 0.0 110.61 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mp -57.39 -34.77 69.22 Favored 'General case' 0 CA--C 1.564 1.507 0 O-C-N 125.901 2.001 . . . . 0.0 113.049 162.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.3 t -60.13 -33.82 72.67 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-O 115.089 -2.386 . . . . 0.0 113.655 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.24 -44.5 95.18 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.35 -3.72 55.97 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 126.441 2.338 . . . . 0.0 113.601 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 m120 62.62 47.1 5.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 118.788 0.722 . . . . 0.0 111.989 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -76.46 123.57 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -81.01 151.75 28.28 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.356 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -59.27 138.01 57.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 127.193 2.808 . . . . 0.0 111.548 167.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.291 30.3 mt-10 67.63 20.66 9.57 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.712 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.1 m -58.49 145.84 37.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.239 -1.538 . . . . 0.0 115.116 166.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 54.5 m -110.78 121.55 45.61 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 118.412 -0.804 . . . . 0.0 108.841 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.83 140.04 49.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.03 0.932 . . . . 0.0 109.237 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -92.47 148.29 22.22 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-O 124.297 1.999 . . . . 0.0 111.309 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 tp -108.88 111.25 22.86 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 112.215 -2.266 . . . . 0.0 114.79 171.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.41 HG22 ' HB2' ' A' ' 42' ' ' ARG . 8.5 m . . . . . 0 CA--C 1.499 -0.982 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 168.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 N--CA 1.551 4.592 0 CA-C-O 122.682 1.23 . . . . 0.0 108.841 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.34 136.02 49.46 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 166.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.91 162.6 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.543 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -104.47 158.18 16.65 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.803 2.24 . . . . 0.0 109.491 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.1 t -130.07 127.9 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 25.1 tptp -119.71 126.84 52.05 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.125 1.44 . . . . 0.0 107.368 -170.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -113.18 158.07 20.9 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.478 1.132 . . . . 0.0 111.459 -165.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.23 -25.12 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.986 -1.071 . . . . 0.0 113.264 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -66.92 -18.01 65.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 169.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.57 38.43 3.46 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 116.206 1.242 . . . . 0.0 116.206 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -121.46 141.9 50.56 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -106.38 117.24 33.52 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 167.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.2 mm -106.91 134.1 49.56 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -98.98 125.11 44.36 Favored 'General case' 0 C--N 1.366 1.297 0 CA-C-O 123.722 1.725 . . . . 0.0 113.201 169.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -140.46 139.2 35.13 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 117.772 -3.08 . . . . 0.0 109.437 176.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.49 118.02 35.79 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 112.058 -2.337 . . . . 0.0 111.449 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.83 163.6 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 124.9 1.375 . . . . 0.0 109.736 -161.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -116.44 160.73 34.96 Favored Pre-proline 0 C--O 1.192 -1.923 0 CA-C-O 115.916 -1.993 . . . . 0.0 111.181 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -67.63 -19.42 48.03 Favored 'Trans proline' 2 N--CA 1.544 4.49 0 N-CA-C 116.1 1.538 . . . . 0.0 116.1 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.2 p -79.71 -22.06 43.84 Favored 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 116.128 -1.891 . . . . 0.0 110.791 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.69 140.21 47.94 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 121.191 1.814 . . . . 0.0 111.781 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 p -89.78 158.28 17.57 Favored 'General case' 0 C--N 1.379 1.884 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.48 -31.88 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 CA-C-N 112.968 -1.924 . . . . 0.0 110.127 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.21 -53.08 55.92 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 161.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -57.67 -45.05 86.08 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.1 -39.9 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 CA-C-N 119.199 0.909 . . . . 0.0 113.312 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.45 -42.06 95.39 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 169.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.67 84.52 Favored 'General case' 0 CA--C 1.576 1.951 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 175.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -63.35 -46.11 88.07 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 167.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.4 mm -69.39 -35.47 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.223 0 O-C-N 125.182 1.551 . . . . 0.0 111.012 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.51 -43.57 79.87 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.045 167.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -67.93 -45.95 72.85 Favored 'General case' 0 C--O 1.252 1.205 0 O-C-N 124.502 1.126 . . . . 0.0 113.49 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -66.13 -45.69 80.2 Favored 'General case' 0 C--O 1.257 1.464 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -119.74 -10.85 9.48 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.09 20.16 61.4 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 117.057 1.583 . . . . 0.0 117.057 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -90.37 130.17 42.66 Favored Pre-proline 0 CA--C 1.577 1.987 0 CA-C-N 119.53 1.665 . . . . 0.0 107.073 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -53.23 137.18 63.58 Favored 'Trans proline' 0 N--CA 1.528 3.553 0 C-N-CA 124.48 3.453 . . . . 0.0 111.077 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -87.07 15.2 2.23 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 CA-C-N 120.895 1.356 . . . . 0.0 110.429 -170.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -106.79 -23.61 12.34 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 125.823 1.649 . . . . 0.0 111.055 168.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -77.93 -37.24 48.14 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.86 -0.525 . . . . 0.0 109.822 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -48.55 133.01 17.06 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 118.548 2.795 . . . . 0.0 118.548 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -131.24 113.44 13.84 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 118.513 -2.617 . . . . 0.0 107.034 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -99.02 132.39 44.36 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-O 121.985 0.898 . . . . 0.0 111.572 -172.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mt -122.69 136.35 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.375 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -129.94 109.44 10.89 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.094 -2.321 . . . . 0.0 110.159 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.75 35.59 22.15 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.16 -8.59 30.71 Favored Glycine 0 C--N 1.376 2.78 0 N-CA-C 120.765 3.066 . . . . 0.0 120.765 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -78.03 124.91 28.59 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.333 1.453 . . . . 0.0 112.98 171.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -71.13 113.3 8.03 Favored 'General case' 0 C--O 1.26 1.639 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.06 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 59' ' ' TYR . 26.0 mt -79.67 116.45 19.87 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-O 122.204 1.002 . . . . 0.0 112.535 -172.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -71.96 135.11 46.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.294 -1.504 . . . . 0.0 114.739 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.84 -44.93 82.6 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 -167.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.21 12.75 42.89 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-N 120.513 1.506 . . . . 0.0 112.417 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -89.43 147.26 24.12 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.975 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -88.56 171.4 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 125.646 1.841 . . . . 0.0 111.379 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -79.76 -21.28 44.62 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 115.719 -2.086 . . . . 0.0 109.529 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -55.73 -48.03 75.9 Favored 'General case' 0 C--N 1.376 1.744 0 O-C-N 125.383 1.677 . . . . 0.0 112.411 164.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -56.84 -41.62 78.21 Favored 'General case' 0 N--CA 1.513 2.701 0 C-N-CA 126.939 2.096 . . . . 0.0 114.776 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CD1' HD22 ' A' ' 50' ' ' LEU . 59.7 m-85 -79.54 -12.35 59.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 167.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.259 23.3 t-20 54.78 58.85 4.48 Favored 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 125.522 1.764 . . . . 0.0 114.024 -173.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -95.89 119.17 43.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -74.87 160.76 30.24 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 124.863 1.352 . . . . 0.0 110.781 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 148.84 10.24 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 0.0 113.539 167.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.346 62.7 mt-10 68.88 3.43 3.98 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 122.052 2.206 . . . . 0.0 116.401 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -63.42 155.49 28.86 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 125.082 1.488 . . . . 0.0 114.539 163.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.6 m -123.78 113.41 18.53 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.021 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 78.1 mt -85.55 150.42 24.68 Favored 'General case' 0 N--CA 1.42 -1.931 0 O-C-N 121.284 -0.885 . . . . 0.0 108.636 171.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CE1' ' HB3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -104.15 149.3 25.37 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.384 -1.447 . . . . 0.0 107.782 172.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.69 128.52 46.82 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 124.839 1.337 . . . . 0.0 110.846 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--N 1.374 1.647 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 173.625 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.548 4.429 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -95.31 136.15 36.02 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.1 pt -126.78 158.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -124.74 136.14 53.61 Favored 'General case' 0 C--O 1.198 -1.626 0 CA-C-O 117.685 -1.15 . . . . 0.0 108.303 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.8 t -125.55 133.43 69.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -91.07 119.77 31.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.734 1.254 . . . . 0.0 112.11 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.4 p -101.02 176.25 5.33 Favored 'General case' 0 C--N 1.373 1.603 0 CA-C-N 113.92 -1.491 . . . . 0.0 111.883 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -50.68 -36.22 34.73 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 119.122 3.008 . . . . 0.0 119.122 -160.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.3 p -81.47 -8.33 59.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 116.202 -1.856 . . . . 0.0 115.365 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.3 41.97 Favored Glycine 0 N--CA 1.494 2.551 0 CA-C-N 121.496 1.953 . . . . 0.0 113.216 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -58.39 163.53 3.02 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-O 122.808 1.29 . . . . 0.0 113.988 168.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -109.21 129.04 55.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 119.024 -2.297 . . . . 0.0 110.147 171.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.7 mm -101.25 127.25 54.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-O 122.593 1.187 . . . . 0.0 112.111 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -95.59 135.32 37.41 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 120.214 -1.553 . . . . 0.0 111.191 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.7 mt -131.43 126.27 34.66 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.101 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -85.68 118.66 25.32 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.21 -2.181 . . . . 0.0 112.871 169.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.2 m -137.8 165.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.773 0 CA-C-N 111.459 -2.61 . . . . 0.0 113.128 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.03 156.67 44.97 Favored Pre-proline 0 N--CA 1.494 1.755 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.54 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -66.28 -15.04 46.82 Favored 'Trans proline' 0 N--CA 1.507 2.272 0 CA-C-N 121.501 1.572 . . . . 0.0 113.27 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -99.1 10.78 40.76 Favored 'General case' 0 N--CA 1.409 -2.475 0 O-C-N 126.589 2.431 . . . . 0.0 113.292 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -90.1 117.98 29.29 Favored 'General case' 0 C--N 1.376 1.726 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.8 p -63.74 151.24 42.61 Favored 'General case' 0 C--O 1.191 -1.989 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.73 -23.21 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 CA-C-O 123.162 1.458 . . . . 0.0 113.638 173.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.83 -43.73 73.27 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 119.185 -2.197 . . . . 0.0 116.645 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -71.03 -35.67 72.07 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-O 116.164 -1.874 . . . . 0.0 110.823 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.0 t -58.09 -46.46 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 125.101 1.501 . . . . 0.0 109.737 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -66.09 -42.78 88.85 Favored 'General case' 1 N--CA 1.551 4.609 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 169.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.34 47.1 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.283 -0.885 . . . . 0.0 111.238 166.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -65.1 -42.44 94.02 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.78 -26.47 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 CA-C-N 119.727 1.149 . . . . 0.0 111.665 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.52 82.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.858 -1.151 . . . . 0.0 112.363 169.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -64.06 -52.73 57.99 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 118.619 -1.233 . . . . 0.0 113.93 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -66.87 -49.19 66.45 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -172.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -117.35 -21.53 8.66 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 120.848 1.658 . . . . 0.0 108.183 -167.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.28 3.04 31.31 Favored Glycine 0 C--N 1.377 2.85 0 O-C-N 119.664 -1.898 . . . . 0.0 114.349 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mm -68.98 127.44 93.11 Favored Pre-proline 0 CA--C 1.552 1.029 0 CA-C-O 116.719 -1.61 . . . . 0.0 112.515 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -52.39 138.61 56.24 Favored 'Trans proline' 0 CA--C 1.571 2.351 0 CA-C-N 120.539 1.228 . . . . 0.0 114.31 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.427 35.4 Cg_exo -49.1 -42.63 38.68 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-O 113.078 -2.967 . . . . 0.0 117.75 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -79.42 -15.66 57.46 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.375 1.898 . . . . 0.0 112.738 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -91.28 18.21 7.35 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.272 0.942 . . . . 0.0 113.184 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -99.47 121.24 40.87 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 120.469 -1.395 . . . . 0.0 110.453 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -125.2 116.03 21.36 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.47 125.16 51.57 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -165.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.58 145.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 109.972 -176.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.99 114.24 9.57 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 162.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.57 58.51 3.82 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -1.94 64.24 Favored Glycine 0 N--CA 1.493 2.469 0 CA-C-N 114.468 -1.242 . . . . 0.0 113.906 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -106.83 110.53 22.71 Favored 'General case' 0 C--N 1.383 2.041 0 CA-C-N 118.717 1.258 . . . . 0.0 109.057 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -63.21 122.35 15.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 166.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.4 mt -91.79 123.13 34.94 Favored 'General case' 0 N--CA 1.518 2.97 0 O-C-N 124.371 1.045 . . . . 0.0 109.712 -168.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.255 17.4 mt-10 -92.25 142.61 27.29 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -167.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.64 -40.15 74.92 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -161.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 -7.04 88.5 Favored Glycine 0 N--CA 1.482 1.76 0 O-C-N 119.63 -1.918 . . . . 0.0 113.994 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -80.33 152.72 28.81 Favored 'General case' 0 CA--C 1.563 1.443 0 O-C-N 125.201 1.177 . . . . 0.0 113.839 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -93.66 173.7 7.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 123.718 1.723 . . . . 0.0 115.2 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -72.79 -24.5 60.93 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.979 -1.7 . . . . 0.0 112.126 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -80.02 -16.13 55.77 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.602 172.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.05 -21.99 60.69 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 120.549 1.522 . . . . 0.0 111.211 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -111.79 16.17 20.58 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 117.019 -1.467 . . . . 0.0 108.133 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m120 43.34 48.31 5.86 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 126.048 1.739 . . . . 0.0 114.238 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.259 19.3 mt -78.82 126.51 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 O-C-N 119.763 -1.835 . . . . 0.0 110.161 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -88.62 166.86 13.83 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 119.291 -2.13 . . . . 0.0 111.323 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -53.73 145.52 15.5 Favored 'General case' 0 N--CA 1.523 3.196 0 O-C-N 119.539 -1.976 . . . . 0.0 115.306 170.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 66.4 11.61 8.12 Favored 'General case' 0 C--N 1.389 2.283 0 CA-C-O 117.277 -1.344 . . . . 0.0 113.686 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -71.27 162.46 29.4 Favored 'General case' 0 N--CA 1.539 3.986 0 C-N-CA 127.568 2.347 . . . . 0.0 107.494 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -119.06 126.86 52.68 Favored 'General case' 0 C--O 1.196 -1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 111.317 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 mp -100.86 159.93 14.79 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 113.057 -1.883 . . . . 0.0 109.217 173.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -123.58 126.43 46.64 Favored 'General case' 0 C--N 1.385 2.152 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.11 138.19 31.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 121.195 0.521 . . . . 0.0 110.42 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.7 m . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 156.763 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.641 0 CA-C-O 117.709 -1.138 . . . . 0.0 113.992 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -101.71 136.82 40.91 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-O 116.81 -1.567 . . . . 0.0 108.778 -170.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.88 171.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 120.65 -1.281 . . . . 0.0 109.818 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.48 118.75 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 CA-C-O 123.602 1.668 . . . . 0.0 110.438 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -110.84 119.58 39.55 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 111.385 -2.643 . . . . 0.0 113.518 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.0 p -76.99 166.97 22.61 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.6 17.12 4.86 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.928 0.871 . . . . 0.0 112.099 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -125.41 22.56 7.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 112.317 -2.22 . . . . 0.0 111.738 170.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.83 77.43 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 119.117 2.407 . . . . 0.0 119.117 164.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -107.55 116.74 32.48 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.909 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -98.79 120.0 38.49 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 127.679 3.112 . . . . 0.0 107.419 170.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.79 141.32 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.08 0 CA-C-N 111.828 -2.442 . . . . 0.0 110.393 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -94.88 126.58 40.31 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 125.653 1.846 . . . . 0.0 112.261 164.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.45 141.48 52.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -171.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -103.24 112.18 24.93 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.16 151.36 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -97.09 145.73 30.11 Favored Pre-proline 0 C--O 1.199 -1.57 0 CA-C-O 112.898 -3.429 . . . . 0.0 105.689 165.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.47 -4.64 15.73 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 CA-C-N 124.364 2.594 . . . . 0.0 117.577 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -97.11 -5.06 38.23 Favored 'General case' 0 C--O 1.186 -2.28 0 CA-C-N 122.457 2.389 . . . . 0.0 109.818 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.1 141.68 58.68 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 127.101 3.334 . . . . 0.0 111.989 166.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.4 p -71.74 151.46 43.55 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 117.483 -3.261 . . . . 0.0 109.191 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.75 -32.69 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 123.828 3.013 . . . . 0.0 113.688 174.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.38 -33.36 75.55 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.813 2.551 . . . . 0.0 117.585 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.49 -42.86 75.0 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 126.093 2.121 . . . . 0.0 110.184 159.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.296 56.5 t -63.51 -39.95 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 124.323 3.238 . . . . 0.0 115.089 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 30.1 mtmt -57.91 -37.33 73.84 Favored 'General case' 0 CA--C 1.585 2.32 0 CA-C-O 122.789 1.28 . . . . 0.0 111.215 168.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.55 87.14 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -67.12 -36.74 82.56 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 165.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.9 mt -61.38 -35.65 67.88 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 O-C-N 124.668 1.23 . . . . 0.0 113.528 171.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.25 -38.61 80.49 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 174.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.55 -21.55 66.41 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 171.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -100.32 -47.28 4.98 Favored 'General case' 0 N--CA 1.518 2.968 0 O-C-N 120.897 -1.127 . . . . 0.0 110.648 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -116.9 -8.02 11.35 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 115.313 -2.28 . . . . 0.0 110.668 -170.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.32 19.69 73.76 Favored Glycine 0 C--N 1.376 2.762 0 N-CA-C 120.861 3.104 . . . . 0.0 120.861 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mm -108.57 130.07 23.21 Favored Pre-proline 0 C--O 1.202 -1.413 0 CA-C-O 116.373 -1.775 . . . . 0.0 111.596 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -54.4 142.37 69.79 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.438 2.092 . . . . 0.0 111.304 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -45.2 4.95 Favored 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 126.904 5.069 . . . . 0.0 115.83 169.415 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -65.63 -14.36 61.02 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -101.67 0.08 35.51 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -108.04 144.48 35.32 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -146.99 131.23 17.44 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.167 169.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.22 148.29 24.43 Favored 'General case' 0 N--CA 1.419 -2.013 0 C-N-CA 125.63 1.572 . . . . 0.0 111.43 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -125.0 131.12 72.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.311 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -139.27 133.61 31.5 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.286 . . 42.62 44.71 3.76 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.17 25.98 67.4 Favored Glycine 0 N--CA 1.472 1.035 0 O-C-N 125.553 1.783 . . . . 0.0 113.043 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.361 23.0 pttm -156.83 155.57 31.73 Favored 'General case' 0 N--CA 1.534 3.729 0 O-C-N 119.571 -2.135 . . . . 0.0 110.794 168.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -46.45 137.73 6.33 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 128.342 2.657 . . . . 0.0 115.864 171.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.7 mt -85.79 124.96 32.88 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 167.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.81 103.03 4.21 Favored 'General case' 0 C--N 1.397 2.656 0 O-C-N 120.328 -1.482 . . . . 0.0 111.056 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 90.0 m-20 -15.05 -65.47 0.01 OUTLIER 'General case' 0 C--O 1.256 1.424 0 C-N-CA 127.984 2.514 . . . . 0.0 116.627 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.65 -23.12 70.4 Favored Glycine 0 CA--C 1.546 1.972 0 N-CA-C 117.851 1.9 . . . . 0.0 117.851 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -68.8 163.14 24.83 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.85 -1.97 . . . . 0.0 113.531 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.6 p -96.23 159.15 15.1 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.07 1.891 . . . . 0.0 115.462 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.45 -34.87 73.06 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 119.715 -1.866 . . . . 0.0 111.643 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.7 t -61.25 -40.51 94.32 Favored 'General case' 0 N--CA 1.51 2.557 0 C-N-CA 126.699 1.999 . . . . 0.0 106.215 167.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -64.04 -36.05 82.71 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 121.434 1.924 . . . . 0.0 113.416 -175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.95 5.91 50.18 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 40.45 53.54 2.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 -166.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.1 mt -84.55 109.92 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.275 1.43 . . . . 0.0 111.932 -175.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -94.28 166.66 11.99 Favored 'General case' 0 C--N 1.379 1.877 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -168.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -44.01 131.36 5.81 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 173.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 68.87 21.29 7.66 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.493 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.5 m -71.6 137.34 47.9 Favored 'General case' 0 C--N 1.38 1.901 0 O-C-N 120.561 -1.337 . . . . 0.0 110.431 161.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.0 m -101.92 112.57 25.24 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 -176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.99 123.67 48.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.64 1.213 . . . . 0.0 110.181 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -71.85 136.38 46.96 Favored 'General case' 0 C--N 1.362 1.15 0 O-C-N 120.036 -1.665 . . . . 0.0 107.734 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -112.37 127.2 55.94 Favored 'General case' 0 N--CA 1.518 2.927 0 O-C-N 127.219 2.824 . . . . 0.0 107.024 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.42 -1.967 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -177.566 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 121.843 0.83 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -89.74 149.89 22.54 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 172.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.293 2.2 pp -141.23 154.07 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.076 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.788 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -111.25 136.72 49.92 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.512 -1.367 . . . . 0.0 111.57 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.43 134.56 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -97.97 114.65 26.83 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 112.503 -2.135 . . . . 0.0 107.92 170.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.8 p -75.07 163.81 27.19 Favored 'General case' 0 CA--C 1.589 2.465 0 O-C-N 117.061 -3.524 . . . . 0.0 114.617 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.86 -30.3 68.88 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 124.907 1.283 . . . . 0.0 113.319 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 m -68.72 -32.53 72.39 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-O 118.348 -0.834 . . . . 0.0 112.058 173.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.3 30.01 4.59 Favored Glycine 0 CA--C 1.543 1.825 0 O-C-N 125.728 1.893 . . . . 0.0 113.454 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -96.09 143.38 27.28 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-O 121.363 0.601 . . . . 0.0 109.384 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -102.19 121.61 42.58 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 121.195 -0.941 . . . . 0.0 108.506 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.7 mm -101.39 139.14 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -107.9 128.97 55.09 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mp -129.14 132.62 47.37 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.594 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -89.15 116.15 27.2 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-O 123.988 1.851 . . . . 0.0 112.535 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -143.28 162.82 16.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.742 0 CA-C-O 122.691 1.234 . . . . 0.0 109.702 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -95.76 156.13 37.68 Favored Pre-proline 0 C--O 1.205 -1.247 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.345 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.307 41.0 Cg_endo -60.64 -13.96 28.72 Favored 'Trans proline' 0 C--N 1.291 -2.463 0 CA-C-O 116.98 -1.342 . . . . 0.0 115.125 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -102.64 -0.26 32.15 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 122.981 2.628 . . . . 0.0 106.562 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -73.46 147.28 44.3 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 121.808 2.094 . . . . 0.0 109.85 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -88.28 165.66 14.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 120.212 1.369 . . . . 0.0 112.988 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -60.22 -38.38 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.813 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.36 -50.12 63.01 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.231 -0.918 . . . . 0.0 111.56 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -64.53 -34.41 78.17 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 119.938 -1.727 . . . . 0.0 113.384 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.6 t -57.4 -51.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.746 0 CA-C-O 121.854 0.835 . . . . 0.0 109.571 170.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.46 -32.23 66.74 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 117.753 -3.092 . . . . 0.0 116.296 168.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.82 95.78 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.174 -1.811 . . . . 0.0 114.725 166.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -58.83 -43.5 90.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 118.923 0.783 . . . . 0.0 111.66 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mm -61.98 -36.83 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.038 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -63.4 -48.81 76.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 125.384 1.677 . . . . 0.0 111.836 174.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -61.87 -43.65 98.41 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -88.49 -32.14 18.38 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 116.499 -1.715 . . . . 0.0 111.247 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -113.31 -4.93 13.61 Favored 'General case' 0 C--N 1.374 1.659 0 CA-C-O 115.073 -2.394 . . . . 0.0 115.059 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.23 58.15 13.83 Favored Glycine 0 C--O 1.192 -2.524 0 O-C-N 125.776 1.922 . . . . 0.0 110.786 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.8 mt -128.45 112.78 19.49 Favored Pre-proline 0 CA--C 1.587 2.393 0 CA-C-N 118.236 1.018 . . . . 0.0 110.12 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -35.01 117.59 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.679 0 C-N-CA 124.272 3.315 . . . . 0.0 116.307 174.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -65.87 -27.99 50.98 Favored 'Trans proline' 0 CA--C 1.493 -1.537 0 O-C-N 122.804 0.897 . . . . 0.0 111.22 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.33 -23.14 57.23 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.899 -1.125 . . . . 0.0 111.048 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -91.21 -13.41 32.89 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -69.0 125.73 27.57 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.751 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -112.34 113.08 25.11 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 125.042 1.464 . . . . 0.0 111.835 162.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 mt -92.79 130.17 38.49 Favored 'General case' 0 C--O 1.25 1.111 0 CA-C-O 122.737 1.256 . . . . 0.0 109.332 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -118.55 128.89 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.176 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -133.26 114.69 14.07 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.4 29.27 8.54 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -168.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.34 8.18 81.6 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-O 117.762 -1.577 . . . . 0.0 115.566 176.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -121.22 128.57 52.55 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.32 -3.585 . . . . 0.0 101.32 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.69 146.35 54.9 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.364 1.665 . . . . 0.0 111.365 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -112.41 149.12 32.98 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 125.065 1.478 . . . . 0.0 112.071 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -92.24 145.14 24.72 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 123.951 1.834 . . . . 0.0 115.583 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.91 -35.58 75.18 Favored 'General case' 0 C--N 1.372 1.575 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.36 -15.99 79.0 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.253 1.6 mpp_? -86.23 165.16 16.71 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.2 p -110.77 167.82 9.94 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.006 -1.906 . . . . 0.0 109.89 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.16 -35.61 79.34 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 111.796 -2.456 . . . . 0.0 111.627 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 m -72.29 -26.93 62.16 Favored 'General case' 0 C--N 1.367 1.369 0 CA-C-O 114.406 -2.711 . . . . 0.0 110.241 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.17 -17.93 65.03 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-N 123.211 2.732 . . . . 0.0 112.636 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -112.11 11.91 20.46 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 116.728 -1.606 . . . . 0.0 113.28 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.6 m120 53.32 59.44 4.39 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 127.551 3.032 . . . . 0.0 114.134 -169.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -92.3 118.49 37.96 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.445 0 O-C-N 120.135 -1.603 . . . . 0.0 110.838 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -83.96 170.92 13.49 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 125.227 1.579 . . . . 0.0 112.135 171.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.712 3.149 . . . . 0.0 111.408 170.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 44.8 mt-10 81.77 14.75 0.53 Allowed 'General case' 0 C--O 1.259 1.597 0 C-N-CA 130.538 3.535 . . . . 0.0 108.587 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -68.07 142.53 55.81 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 117.554 -1.658 . . . . 0.0 111.065 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 m -98.28 117.8 33.49 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 113.58 -1.645 . . . . 0.0 114.889 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.67 166.35 11.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -129.75 144.75 51.45 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 124.843 1.257 . . . . 0.0 109.485 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.2 tp -123.34 134.83 53.98 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.776 1.751 . . . . 0.0 108.901 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.427 -1.587 0 N-CA-C 101.754 -3.425 . . . . 0.0 101.754 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.198 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -93.93 137.23 33.38 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.742 0.782 . . . . 0.0 109.095 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.66 162.26 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 122.61 1.195 . . . . 0.0 108.105 166.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -107.63 145.09 33.78 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.381 -1.449 . . . . 0.0 110.083 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -123.23 112.7 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.894 0 O-C-N 120.828 -1.17 . . . . 0.0 109.686 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.94 124.94 34.71 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -80.21 166.68 21.18 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.93 -35.5 78.53 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 115.598 -2.144 . . . . 0.0 112.793 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -67.95 -32.01 72.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.101 2.16 . . . . 0.0 112.339 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.56 8.81 6.17 Favored Glycine 0 CA--C 1.502 -0.738 0 O-C-N 121.06 -1.025 . . . . 0.0 113.07 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -82.88 164.15 20.68 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.7 m -115.78 131.13 57.03 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mm -111.38 132.42 59.97 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-N 121.782 2.083 . . . . 0.0 108.717 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -100.55 134.85 42.9 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -150.8 157.58 43.11 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -93.57 134.06 36.24 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.156 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 164.91 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 CA-C-N 120.367 1.439 . . . . 0.0 111.136 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.63 166.98 12.19 Favored Pre-proline 0 CA--C 1.568 1.671 0 O-C-N 125.925 2.016 . . . . 0.0 106.969 171.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -67.38 -31.12 35.46 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 117.719 -1.054 . . . . 0.0 110.36 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 p -85.92 -0.7 56.1 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -73.06 148.95 43.57 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-O 125.079 2.371 . . . . 0.0 111.28 165.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 p -100.11 165.8 11.33 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 112.657 -2.065 . . . . 0.0 109.815 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.01 -32.7 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.224 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -50.35 -39.55 46.57 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 115.038 -2.41 . . . . 0.0 114.146 162.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -69.71 -32.04 70.41 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 123.71 2.959 . . . . 0.0 111.251 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.79 -46.25 94.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.68 -43.39 89.92 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.42 86.3 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.082 0.855 . . . . 0.0 113.01 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -64.08 -37.37 87.19 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.12 -36.55 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 119.578 -1.951 . . . . 0.0 111.67 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -46.96 -54.99 8.89 Favored 'General case' 0 C--N 1.394 2.513 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 167.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.258 30.3 m-20 -58.08 -51.16 70.85 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -62.37 -44.06 97.35 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 126.57 1.948 . . . . 0.0 115.122 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -120.6 -5.89 9.73 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 121.488 1.949 . . . . 0.0 112.786 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.63 52.36 30.43 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-O 117.006 -1.997 . . . . 0.0 116.918 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.33 114.34 31.88 Favored Pre-proline 0 CA--C 1.562 1.421 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -59.9 141.08 95.87 Favored 'Trans proline' 0 N--CA 1.508 2.34 0 N-CA-C 117.092 1.92 . . . . 0.0 117.092 -168.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -70.73 -21.4 29.03 Favored 'Trans proline' 0 C--N 1.296 -2.213 0 N-CA-C 117.732 2.166 . . . . 0.0 117.732 -170.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -77.77 -17.36 57.6 Favored 'General case' 0 C--O 1.264 1.844 0 CA-C-N 120.285 1.402 . . . . 0.0 112.047 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.86 -18.58 37.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.554 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -89.62 149.53 22.78 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 123.002 1.382 . . . . 0.0 111.66 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -148.74 142.87 25.99 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 167.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.274 62.1 mt -112.43 154.3 26.04 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 125.521 2.582 . . . . 0.0 112.982 -174.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -139.72 139.53 37.82 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 109.85 -3.341 . . . . 0.0 104.766 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -132.41 115.48 15.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 119.715 -1.865 . . . . 0.0 107.433 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.307 . . 65.37 33.6 8.85 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 120.865 3.654 . . . . 0.0 120.865 162.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.03 -6.58 37.21 Favored Glycine 0 C--N 1.362 1.989 0 CA-C-O 117.929 -1.484 . . . . 0.0 114.946 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.47 146.32 30.51 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.936 2.868 . . . . 0.0 113.996 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.39 154.47 41.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 119.565 -1.96 . . . . 0.0 112.635 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -121.09 132.68 55.02 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.607 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -74.79 144.48 43.51 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.057 1.343 . . . . 0.0 110.255 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -58.71 -40.72 84.5 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 -18.58 77.95 Favored Glycine 0 C--N 1.359 1.809 0 N-CA-C 118.525 2.17 . . . . 0.0 118.525 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -70.08 152.23 44.6 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.654 1.582 . . . . 0.0 114.053 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -95.39 166.45 11.87 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.54 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.79 -28.69 70.04 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.631 2.157 . . . . 0.0 115.429 173.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -75.75 -31.33 59.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.086 -1.416 . . . . 0.0 113.663 173.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 116.222 -1.847 . . . . 0.0 114.641 165.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -67.26 -27.43 67.2 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.786 167.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.257 35.4 m120 67.7 49.98 0.92 Allowed 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.692 1.133 . . . . 0.0 110.867 -167.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -89.5 113.62 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.187 0 CA-C-O 125.112 2.387 . . . . 0.0 112.208 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -64.65 155.8 32.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 111.577 -2.556 . . . . 0.0 113.384 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.97 155.8 5.92 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 172.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 39.7 mt-10 59.97 32.0 20.92 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.3 m -108.78 140.48 42.15 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 119.592 -1.942 . . . . 0.0 110.981 -163.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 84.7 m -95.77 108.78 21.14 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.759 -1.213 . . . . 0.0 113.433 -168.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.3 167.3 12.4 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.185 1.794 . . . . 0.0 106.477 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -123.04 157.46 32.73 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.849 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.3 tp -118.78 139.89 50.84 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 112.51 -2.132 . . . . 0.0 106.908 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.552 1.048 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 161.722 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 117.245 -1.36 . . . . 0.0 112.697 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -74.01 138.59 44.2 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 121.132 1.787 . . . . 0.0 111.17 171.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.71 172.68 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 165.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -124.02 143.6 50.33 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.3 t -134.58 121.77 36.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 O-C-N 119.807 -1.808 . . . . 0.0 107.539 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -73.15 125.93 28.86 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 p -86.21 -170.09 2.94 Favored 'General case' 0 N--CA 1.517 2.883 0 O-C-N 121.467 -0.771 . . . . 0.0 112.1 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.75 23.61 12.9 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-N 120.326 1.421 . . . . 0.0 113.475 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -115.84 4.77 13.97 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.47 1.508 . . . . 0.0 111.344 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.11 23.94 18.42 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -116.44 143.35 45.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.015 1.726 . . . . 0.0 115.107 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -106.92 111.11 23.46 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 168.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.73 142.66 13.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.0 m -108.25 124.69 50.7 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 123.41 2.823 . . . . 0.0 107.155 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.24 144.74 47.6 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 115.896 -2.002 . . . . 0.0 111.633 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.16 124.37 40.14 Favored 'General case' 0 N--CA 1.42 -1.925 0 O-C-N 127.135 2.772 . . . . 0.0 108.039 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.17 164.53 27.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -96.3 158.43 33.93 Favored Pre-proline 0 CA--C 1.573 1.858 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 164.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -67.92 -27.92 36.32 Favored 'Trans proline' 0 C--N 1.288 -2.645 0 CA-C-O 116.299 -1.626 . . . . 0.0 113.618 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 p -85.28 16.55 3.56 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.647 2.021 . . . . 0.0 115.467 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.25 143.58 45.03 Favored 'General case' 0 CA--C 1.573 1.829 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 167.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.265 77.5 p -76.65 163.58 26.72 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 120.914 -1.117 . . . . 0.0 112.52 171.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.98 -40.09 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 O-C-N 124.326 1.016 . . . . 0.0 112.633 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -37.74 -45.88 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 160.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -70.03 -21.61 63.17 Favored 'General case' 0 CA--C 1.457 -2.599 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.47 -45.72 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 CA-C-N 118.025 0.375 . . . . 0.0 110.735 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -59.04 -37.77 77.75 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.58 76.34 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 124.392 1.077 . . . . 0.0 113.405 173.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -69.04 -39.42 79.2 Favored 'General case' 0 C--O 1.194 -1.866 0 C-N-CA 117.821 -1.552 . . . . 0.0 109.925 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.43 -38.25 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 119.331 -2.106 . . . . 0.0 116.676 170.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -56.53 -47.81 78.6 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 121.281 1.855 . . . . 0.0 112.857 164.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.05 -44.07 97.94 Favored 'General case' 0 CA--C 1.576 1.953 0 C-N-CA 117.678 -1.609 . . . . 0.0 111.798 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -81.35 -34.6 31.67 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-O 114.572 -2.632 . . . . 0.0 117.773 -171.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -127.18 -4.32 6.2 Favored 'General case' 0 N--CA 1.527 3.416 0 CA-C-N 122.449 2.386 . . . . 0.0 110.396 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.71 8.8 82.29 Favored Glycine 0 N--CA 1.483 1.775 0 C-N-CA 123.626 0.631 . . . . 0.0 114.272 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.1 mt -83.94 126.13 71.16 Favored Pre-proline 0 N--CA 1.41 -2.465 0 CA-C-O 123.357 1.551 . . . . 0.0 108.637 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.66 142.1 62.17 Favored 'Trans proline' 0 C--N 1.262 -3.978 0 O-C-N 116.534 -2.403 . . . . 0.0 117.965 174.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.97 -27.42 58.26 Favored 'Trans proline' 0 N--CA 1.526 3.43 0 C-N-CA 123.158 2.572 . . . . 0.0 111.391 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -85.13 -22.14 28.97 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -90.7 5.28 48.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 124.926 1.391 . . . . 0.0 111.407 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -133.34 158.32 43.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 118.841 -2.412 . . . . 0.0 108.628 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -132.4 146.64 52.1 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 127.145 2.778 . . . . 0.0 109.035 170.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 mt -109.04 137.39 47.02 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 118.535 -2.603 . . . . 0.0 110.427 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 22.5 mm -121.23 150.61 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 N-CA-C 103.854 -2.646 . . . . 0.0 103.854 -169.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -141.39 136.26 31.24 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 104.33 -2.47 . . . . 0.0 104.33 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.86 1.21 Allowed 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.152 -1.592 . . . . 0.0 114.704 173.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 -4.45 65.34 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-O 116.604 -2.22 . . . . 0.0 116.062 -167.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -115.61 146.92 41.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -165.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -109.78 130.44 55.52 Favored 'General case' 0 CA--C 1.5 -0.95 0 O-C-N 119.953 -1.717 . . . . 0.0 106.798 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -95.69 139.56 31.76 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 123.699 1.714 . . . . 0.0 113.792 -172.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -72.29 128.53 35.94 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.179 0.99 . . . . 0.0 113.179 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.75 -45.91 70.72 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 110.259 -3.155 . . . . 0.0 119.01 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -1.79 80.49 Favored Glycine 0 N--CA 1.483 1.784 0 CA-C-O 117.923 -1.487 . . . . 0.0 114.444 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -88.55 -179.92 6.15 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 118.402 1.101 . . . . 0.0 109.079 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.6 p -114.04 161.39 17.78 Favored 'General case' 0 CA--C 1.467 -2.246 0 C-N-CA 117.557 -1.657 . . . . 0.0 108.822 -171.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.56 -36.65 81.23 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 112.468 -2.151 . . . . 0.0 109.472 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -60.23 -43.12 96.3 Favored 'General case' 0 C--O 1.27 2.136 0 O-C-N 125.566 1.791 . . . . 0.0 109.317 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.82 -37.17 86.72 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 118.458 -2.651 . . . . 0.0 113.468 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -91.91 8.24 38.32 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 118.499 -2.626 . . . . 0.0 110.061 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 64.42 32.74 11.72 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 124.633 1.173 . . . . 0.0 110.604 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm -76.88 114.44 17.25 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 CA-C-O 124.019 1.866 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.58 161.61 13.58 Favored 'General case' 0 CA--C 1.557 1.231 0 O-C-N 118.571 -2.581 . . . . 0.0 110.164 -175.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -25.63 125.35 0.05 Allowed 'General case' 0 C--N 1.4 2.787 0 C-N-CA 126.845 2.058 . . . . 0.0 115.239 164.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.378 88.9 mt-10 72.97 21.85 3.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.932 2.093 . . . . 0.0 112.941 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.9 m -73.81 148.4 42.5 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-O 117.461 -1.257 . . . . 0.0 108.69 173.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.0 m -102.47 118.59 37.18 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 127.04 2.712 . . . . 0.0 106.959 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.8 mt -105.67 162.69 13.3 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -133.83 155.26 50.15 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tt -101.06 146.78 27.0 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 126.845 2.591 . . . . 0.0 108.172 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.198 -1.623 0 CA-C-O 116.245 -1.836 . . . . 0.0 110.351 167.124 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.728 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.482 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -101.55 138.0 39.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.699 0.681 . . . . 0.0 112.232 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -123.03 171.95 11.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 165.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.01 151.95 35.68 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.35 136.62 59.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 122.573 1.178 . . . . 0.0 109.006 165.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -94.3 125.57 39.03 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 114.111 -1.404 . . . . 0.0 110.709 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -92.66 169.57 10.4 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 119.784 1.175 . . . . 0.0 109.711 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.0 mt -61.83 -39.95 93.59 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 125.193 1.397 . . . . 0.0 110.865 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -69.75 -8.66 49.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.053 -1.885 . . . . 0.0 112.977 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.14 27.21 37.78 Favored Glycine 0 CA--C 1.558 2.731 0 CA-C-O 117.68 -1.622 . . . . 0.0 115.988 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -97.24 132.78 42.66 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 119.13 1.465 . . . . 0.0 109.278 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -91.73 110.32 21.66 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.423 1.106 . . . . 0.0 108.146 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.8 pt -109.26 150.27 12.03 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.557 -173.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 m -120.27 121.88 39.65 Favored 'General case' 0 C--N 1.385 2.11 0 CA-C-O 122.504 1.145 . . . . 0.0 111.366 -167.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 mt -119.3 129.76 55.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.634 -2.075 . . . . 0.0 105.469 -163.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -108.72 127.46 54.01 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -153.93 165.06 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 124.202 1.001 . . . . 0.0 109.176 -161.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -113.79 152.57 45.69 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 102.462 -3.162 . . . . 0.0 102.462 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -81.61 -1.03 10.77 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 CA-C-N 120.689 1.282 . . . . 0.0 113.416 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -16.74 28.84 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.098 -1.001 . . . . 0.0 110.162 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -55.5 139.88 42.32 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.521 0.329 . . . . 0.0 111.498 174.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -77.8 162.44 26.9 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 121.383 -0.823 . . . . 0.0 111.528 173.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.98 -36.71 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.63 -36.09 71.36 Favored 'General case' 0 C--O 1.269 2.129 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 168.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -69.68 -33.25 72.29 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 119.854 1.207 . . . . 0.0 109.28 170.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.287 39.5 t -62.33 -42.68 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 113.382 -1.735 . . . . 0.0 109.698 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -65.78 -29.26 69.73 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 112.798 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.9 79.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.466 1.104 . . . . 0.0 112.318 171.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -63.25 -33.07 74.71 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 119.23 -2.169 . . . . 0.0 112.565 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.92 -35.6 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.886 -0.509 . . . . 0.0 111.145 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -44.2 96.53 Favored 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 117.077 -1.439 . . . . 0.0 111.693 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -56.31 -49.69 73.57 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.424 1.465 . . . . 0.0 109.659 169.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -83.75 -38.24 21.62 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.75 10.16 8.96 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.86 68.91 Favored Glycine 0 N--CA 1.467 0.741 0 CA-C-N 114.172 -1.376 . . . . 0.0 114.462 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.1 mt -91.63 129.56 42.19 Favored Pre-proline 0 C--O 1.164 -3.407 0 CA-C-N 119.51 1.655 . . . . 0.0 109.856 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -51.08 122.29 9.73 Favored 'Trans proline' 0 N--CA 1.527 3.456 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 166.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -63.7 -35.13 59.68 Favored 'Trans proline' 1 N--CA 1.537 4.076 0 N-CA-C 117.784 2.186 . . . . 0.0 117.784 -172.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.43 -40.47 1.77 Allowed 'General case' 0 C--O 1.266 1.928 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 162.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -76.31 -14.03 60.12 Favored 'General case' 0 CA--C 1.576 1.972 0 O-C-N 117.595 -3.191 . . . . 0.0 113.266 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -85.12 123.41 30.61 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.188 1.947 . . . . 0.0 113.592 -158.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -118.29 107.86 14.41 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 118.107 -2.87 . . . . 0.0 105.936 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -95.34 119.94 34.71 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.1 mm -111.65 124.29 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.544 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -124.87 135.18 52.66 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 102.737 -3.061 . . . . 0.0 102.737 175.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.18 29.94 19.44 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 170.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.29 7.59 82.63 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 115.907 1.123 . . . . 0.0 115.907 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -148.55 140.72 24.05 Favored 'General case' 0 CA--C 1.567 1.632 0 CA-C-O 126.247 2.927 . . . . 0.0 112.934 -172.666 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.66 151.33 47.58 Favored 'General case' 0 CA--C 1.566 1.593 0 O-C-N 117.051 -3.531 . . . . 0.0 110.084 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.99 141.58 30.77 Favored 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.36 123.17 20.49 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.921 0.867 . . . . 0.0 109.753 168.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.36 -44.86 95.19 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -164.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.48 -7.65 53.7 Favored Glycine 0 N--CA 1.487 2.099 0 C-N-CA 126.691 2.091 . . . . 0.0 116.376 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -90.41 172.86 8.44 Favored 'General case' 0 N--CA 1.414 -2.252 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.9 p -104.67 164.53 11.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.336 1.454 . . . . 0.0 112.772 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.12 -34.98 72.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.061 1.344 . . . . 0.0 111.038 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -67.52 -33.3 74.79 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.197 -2.19 . . . . 0.0 110.596 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.82 -28.89 69.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.78 1.3 . . . . 0.0 113.72 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.22 10.16 41.97 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 119.328 -2.108 . . . . 0.0 112.038 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.4 m120 69.1 30.63 4.33 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 125.468 1.73 . . . . 0.0 113.179 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -82.97 107.61 14.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 O-C-N 120.839 -1.163 . . . . 0.0 107.915 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -115.17 166.31 11.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 124.291 1.996 . . . . 0.0 110.578 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.253 36.8 pttt -33.34 139.2 0.06 Allowed 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 112.212 -2.267 . . . . 0.0 114.257 -173.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 71.25 11.47 6.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -65.66 150.54 48.3 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.382 168.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.2 m -114.89 113.91 24.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mp -95.43 158.29 15.52 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -105.88 131.11 53.6 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.784 -1.823 . . . . 0.0 106.765 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -104.99 109.56 21.6 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 102.937 -2.986 . . . . 0.0 102.937 173.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 CA--C 1.57 1.74 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.214 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 4.9 ptt? . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 113.807 -2.997 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -90.81 149.57 21.92 Favored 'General case' 0 CA--C 1.552 1.023 0 O-C-N 127.022 2.701 . . . . 0.0 114.357 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 pt -139.06 159.87 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 163.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -122.09 124.82 44.82 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 118.958 -1.097 . . . . 0.0 112.489 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.4 124.0 65.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -114.39 124.43 51.93 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 119.143 -2.223 . . . . 0.0 107.313 -174.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -67.31 162.24 23.24 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 117.214 -1.374 . . . . 0.0 112.2 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.8 -42.62 89.54 Favored 'General case' 0 C--N 1.386 2.163 0 O-C-N 126.392 2.308 . . . . 0.0 112.066 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -72.57 -30.36 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.168 -1.583 . . . . 0.0 114.759 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.57 -12.03 4.3 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 119.812 2.685 . . . . 0.0 119.812 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 76.8 tttt -57.93 146.37 32.49 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.255 1.026 . . . . 0.0 108.425 177.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -120.51 116.26 25.06 Favored 'General case' 0 C--O 1.2 -1.541 0 O-C-N 119.332 -2.105 . . . . 0.0 107.945 -171.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.77 121.74 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 126.016 1.726 . . . . 0.0 108.422 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -93.66 130.48 39.58 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 119.975 -1.703 . . . . 0.0 107.122 176.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -119.46 123.4 43.96 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 173.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 1' ' ' MET . 15.6 tp10 -74.38 127.36 32.82 Favored 'General case' 0 C--O 1.254 1.318 0 O-C-N 125.295 1.622 . . . . 0.0 111.075 157.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.53 165.91 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.416 0 CA-C-N 113.692 -1.595 . . . . 0.0 109.922 -171.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -106.57 161.36 23.12 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 112.907 -1.951 . . . . 0.0 112.058 171.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -72.1 -13.91 28.76 Favored 'Trans proline' 0 N--CA 1.507 2.319 0 CA-C-N 122.637 1.977 . . . . 0.0 113.329 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -95.91 8.78 42.68 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 125.981 2.051 . . . . 0.0 110.648 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -75.66 135.24 40.45 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 120.042 -1.661 . . . . 0.0 111.82 166.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.7 p -82.93 163.67 20.93 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-O 127.423 3.487 . . . . 0.0 113.649 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.77 -45.2 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 115.006 -2.426 . . . . 0.0 108.317 169.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.82 -40.38 41.77 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 121.011 1.732 . . . . 0.0 114.142 168.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -65.22 -45.84 83.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.905 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.578 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -57.36 -40.22 77.61 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.59 86.31 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.58 -38.56 84.99 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 126.288 2.242 . . . . 0.0 114.481 165.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.16 -40.65 87.6 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 119.904 -1.747 . . . . 0.0 111.247 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -56.42 -42.88 78.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 126.45 2.344 . . . . 0.0 111.416 170.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -63.91 -47.63 79.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 116.766 -1.588 . . . . 0.0 113.859 169.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -69.64 -51.41 35.11 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 120.775 1.625 . . . . 0.0 114.635 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 20.6 mm-40 -122.48 -6.36 8.71 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.113 1.324 . . . . 0.0 112.881 -164.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.93 33.41 41.49 Favored Glycine 0 C--N 1.369 2.371 0 CA-C-O 117.021 -1.989 . . . . 0.0 114.878 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -100.1 123.11 48.16 Favored Pre-proline 0 C--N 1.402 2.884 0 CA-C-N 121.167 2.484 . . . . 0.0 106.959 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -52.99 140.32 59.43 Favored 'Trans proline' 0 CA--C 1.573 2.449 0 O-C-N 124.273 1.67 . . . . 0.0 116.353 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -51.15 -38.41 60.47 Favored 'Trans proline' 0 N--CA 1.507 2.295 0 N-CA-C 118.237 2.36 . . . . 0.0 118.237 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -84.39 0.86 47.79 Favored 'General case' 0 C--N 1.309 -1.18 0 O-C-N 126.266 2.229 . . . . 0.0 110.372 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -107.19 30.14 6.48 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 121.368 -0.832 . . . . 0.0 112.005 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -135.51 152.79 51.66 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-O 124.795 2.236 . . . . 0.0 110.071 -172.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -140.91 146.19 37.09 Favored 'General case' 0 N--CA 1.394 -3.229 0 N-CA-C 104.716 -2.327 . . . . 0.0 104.716 162.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt -123.36 119.12 29.15 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mt -104.27 155.91 5.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 124.825 1.328 . . . . 0.0 110.229 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -157.73 115.26 3.02 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -176.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 7.53 96.33 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 128.99 2.916 . . . . 0.0 117.878 -169.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.97 -9.5 52.84 Favored Glycine 0 C--N 1.363 2.03 0 CA-C-O 117.084 -1.953 . . . . 0.0 115.665 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -139.33 125.16 19.64 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-O 125.281 2.467 . . . . 0.0 114.0 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.73 135.81 50.23 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 119.599 -1.938 . . . . 0.0 108.691 165.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.4 131.65 47.38 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 125.385 2.517 . . . . 0.0 116.165 -170.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' CD ' HH21 ' A' ' 54' ' ' ARG . 50.9 mt-10 -66.13 143.2 57.44 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 129.001 2.921 . . . . 0.0 117.035 171.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.79 -38.46 80.01 Favored 'General case' 0 CA--C 1.49 -1.352 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.276 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.43 22.66 39.61 Favored Glycine 0 C--O 1.206 -1.624 0 O-C-N 123.422 0.451 . . . . 0.0 111.981 -161.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.431 HH21 ' CD ' ' A' ' 51' ' ' GLU . 30.9 mmt180 -105.82 150.01 25.97 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 174.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -82.95 165.87 19.34 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.272 -0.892 . . . . 0.0 113.314 161.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.55 -36.02 79.43 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.745 0.783 . . . . 0.0 111.415 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 t -63.78 -36.77 84.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 118.624 -2.547 . . . . 0.0 114.202 167.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -62.33 -33.96 75.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.335 1.425 . . . . 0.0 111.826 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -90.04 -4.27 57.49 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.368 2.4 m120 78.3 38.11 0.18 Allowed 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.968 173.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.8 mm -72.54 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 CA-C-O 124.21 1.957 . . . . 0.0 109.563 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -104.06 164.32 11.79 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.628 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -69.86 131.8 45.02 Favored 'General case' 0 CA--C 1.573 1.856 0 CA-C-O 126.429 3.014 . . . . 0.0 113.322 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.287 25.4 mt-10 83.5 23.05 0.14 Allowed 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 112.342 -2.208 . . . . 0.0 113.25 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 m -68.26 137.64 54.89 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -98.99 126.66 44.74 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.337 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 mp -133.75 153.83 51.42 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 125.455 1.722 . . . . 0.0 108.213 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -120.84 128.59 52.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 118.241 -1.384 . . . . 0.0 112.997 -161.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.3 124.21 36.2 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 117.887 -1.525 . . . . 0.0 108.734 -175.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 167.464 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.6 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.024 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -79.87 138.61 37.21 Favored 'General case' 0 C--N 1.38 1.911 0 CA-C-O 123.436 1.589 . . . . 0.0 114.101 -173.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 pt -133.59 141.85 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 O-C-N 118.497 -2.627 . . . . 0.0 109.524 165.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -98.37 115.0 27.54 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 124.883 1.273 . . . . 0.0 108.797 -172.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -96.09 133.6 36.71 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -105.6 121.76 44.65 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -71.5 167.82 18.87 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 117.552 -3.218 . . . . 0.0 110.84 162.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.52 -36.58 84.24 Favored 'General case' 0 C--N 1.373 1.597 0 O-C-N 126.185 2.178 . . . . 0.0 107.391 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -100.7 11.88 38.62 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.55 9.89 28.12 Favored Glycine 0 C--N 1.285 -2.294 0 CA-C-O 117.3 -1.833 . . . . 0.0 114.239 159.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -76.85 136.81 38.91 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 121.917 2.859 . . . . 0.0 107.787 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -91.56 127.34 36.97 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 127.371 2.919 . . . . 0.0 107.18 172.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -120.32 127.27 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.43 0 N-CA-C 103.089 -2.93 . . . . 0.0 103.089 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -119.27 123.74 44.98 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 126.86 2.064 . . . . 0.0 109.475 -168.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -117.14 156.88 26.88 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 127.672 3.108 . . . . 0.0 111.665 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -109.16 115.98 31.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 128.132 2.573 . . . . 0.0 104.332 172.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -132.91 -171.98 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -143.31 157.23 60.25 Favored Pre-proline 0 CA--C 1.57 1.72 0 O-C-N 117.624 -3.172 . . . . 0.0 106.114 167.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -70.4 -7.89 22.31 Favored 'Trans proline' 0 N--CA 1.513 2.623 0 CA-C-N 120.477 1.206 . . . . 0.0 114.334 -168.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -92.01 0.86 57.47 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.668 1.587 . . . . 0.0 112.566 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -74.36 150.85 39.89 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.082 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 p -102.68 170.9 7.74 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.56 -33.39 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.719 0 CA-C-O 116.48 -1.724 . . . . 0.0 114.695 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -53.4 -40.24 64.92 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.686 169.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.98 -30.55 71.54 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 117.064 -1.446 . . . . 0.0 114.298 169.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -76.99 -33.71 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 121.369 1.895 . . . . 0.0 106.999 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -63.65 -40.59 97.23 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 118.651 -2.53 . . . . 0.0 111.343 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.88 78.52 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 124.989 1.316 . . . . 0.0 113.111 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.93 -36.95 85.1 Favored 'General case' 0 C--N 1.362 1.12 0 CA-C-N 118.987 0.812 . . . . 0.0 112.518 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.95 -43.39 79.47 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.976 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -56.96 -42.81 80.82 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 120.528 1.513 . . . . 0.0 112.885 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.267 3.4 t0 -59.79 -46.32 89.58 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.88 -1.137 . . . . 0.0 113.48 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -69.51 -51.51 35.11 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 169.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -121.93 5.98 9.86 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -163.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.92 9.66 86.9 Favored Glycine 0 CA--C 1.551 2.327 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mm -84.53 121.38 74.92 Favored Pre-proline 0 N--CA 1.508 2.454 0 CA-C-N 119.042 1.421 . . . . 0.0 112.035 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -62.79 123.79 12.93 Favored 'Trans proline' 0 N--CA 1.517 2.873 0 C-N-CA 123.399 2.733 . . . . 0.0 114.838 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -51.14 -38.41 60.4 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 123.261 2.641 . . . . 0.0 115.51 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -59.43 -40.43 86.73 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 122.592 1.187 . . . . 0.0 111.804 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -88.13 -24.45 23.37 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 126.16 1.784 . . . . 0.0 112.993 -168.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.68 140.77 46.1 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -137.57 116.18 12.1 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.3 mt -112.0 126.65 55.37 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.127 -173.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.58 134.86 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.903 0 C-N-CA 125.254 1.422 . . . . 0.0 109.536 -172.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -141.73 120.49 12.65 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.31 39.54 28.4 Favored 'General case' 0 N--CA 1.516 2.846 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -165.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.0 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 117.395 1.718 . . . . 0.0 117.395 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -144.84 159.69 42.48 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.275 2.537 . . . . 0.0 108.552 172.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -51.74 159.86 0.74 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 131.315 3.846 . . . . 0.0 117.866 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -126.66 131.03 51.52 Favored 'General case' 0 N--CA 1.514 2.756 0 O-C-N 126.258 2.224 . . . . 0.0 106.502 -168.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.11 129.97 35.07 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.197 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.94 -33.67 57.47 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 113.388 -1.733 . . . . 0.0 110.852 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.41 85.85 Favored Glycine 0 C--N 1.293 -1.86 0 N-CA-C 118.289 2.076 . . . . 0.0 118.289 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -98.1 139.19 34.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.212 -1.169 . . . . 0.0 111.57 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -73.79 158.67 34.15 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.508 168.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.15 -26.41 65.75 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.844 2.457 . . . . 0.0 111.255 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.7 p -78.75 -18.78 53.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.97 1.471 . . . . 0.0 114.97 175.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.84 -35.41 76.91 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -89.32 -14.18 36.29 Favored 'General case' 0 C--O 1.185 -2.299 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.314 -177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 67.97 40.33 2.32 Favored 'General case' 0 N--CA 1.509 2.495 0 C-N-CA 127.13 2.172 . . . . 0.0 112.992 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.402 HD12 HD21 ' A' ' 67' ' ' LEU 0.277 4.5 mt -59.58 138.36 20.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 CA-C-O 122.111 0.957 . . . . 0.0 111.344 161.542 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -136.25 -177.58 4.77 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 113.184 -1.825 . . . . 0.0 108.19 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -58.82 125.7 24.61 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.213 2.672 . . . . 0.0 118.213 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 78.23 18.21 1.12 Allowed 'General case' 0 C--N 1.362 1.116 0 O-C-N 118.978 -2.326 . . . . 0.0 112.187 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.292 22.0 m -63.67 139.56 58.78 Favored 'General case' 0 CA--C 1.463 -2.375 0 CA-C-O 117.367 -1.301 . . . . 0.0 111.843 166.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -117.25 114.11 23.16 Favored 'General case' 0 C--N 1.384 2.088 0 O-C-N 126.964 2.665 . . . . 0.0 112.89 -171.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD21 HD12 ' A' ' 61' ' ' ILE . 64.5 mt -105.32 153.46 21.59 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-O 115.261 -2.304 . . . . 0.0 108.398 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -116.55 124.24 49.38 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 125.615 1.822 . . . . 0.0 107.607 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -90.42 147.33 23.5 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-O 123.741 1.734 . . . . 0.0 110.707 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 -179.115 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.516 2.869 0 CA-C-O 120.348 0.118 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -79.94 143.85 33.84 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.07 134.55 66.25 Favored 'Isoleucine or valine' 0 C--N 1.373 1.607 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 162.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -100.52 118.36 36.55 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.32 133.18 66.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 122.747 1.261 . . . . 0.0 110.425 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -99.67 121.48 41.3 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.219 -173.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.5 p -81.6 165.0 21.48 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 124.075 1.893 . . . . 0.0 111.497 173.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -57.15 -42.88 81.84 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 112.558 -2.11 . . . . 0.0 115.89 168.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -8.26 2.2 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 169.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.7 22.33 26.42 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 117.454 1.742 . . . . 0.0 117.454 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -105.33 140.08 39.0 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 118.759 -2.613 . . . . 0.0 112.125 -170.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -79.58 110.96 15.39 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.039 -1.064 . . . . 0.0 110.461 167.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.5 mm -102.22 132.84 47.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 m -77.31 123.54 26.62 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.0 mt -113.58 129.28 56.59 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 118.571 -1.251 . . . . 0.0 113.151 171.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -102.65 112.66 25.53 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.45 147.26 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.116 -163.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -86.4 153.96 56.5 Favored Pre-proline 0 N--CA 1.475 0.802 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.32 -19.84 61.89 Favored 'Trans proline' 0 N--CA 1.515 2.782 0 N-CA-C 108.93 -1.219 . . . . 0.0 108.93 -175.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -91.27 17.11 8.74 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 119.474 -2.016 . . . . 0.0 113.799 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.34 139.71 30.23 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-O 124.2 1.952 . . . . 0.0 111.559 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -70.02 154.26 42.17 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 124.411 2.053 . . . . 0.0 115.724 172.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -63.8 -31.19 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 O-C-N 118.457 -2.652 . . . . 0.0 113.509 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.09 -53.21 28.77 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-O 124.387 2.041 . . . . 0.0 113.061 163.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . 0.293 39.6 t-20 -58.51 -44.93 89.64 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 114.226 -1.352 . . . . 0.0 113.254 172.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -59.98 -42.78 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.643 0 O-C-N 119.996 -1.69 . . . . 0.0 111.377 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -60.09 -35.45 75.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 126.669 2.481 . . . . 0.0 117.412 163.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.36 64.56 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-O 117.388 -1.292 . . . . 0.0 108.858 174.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -68.92 -30.71 69.23 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 124.056 0.847 . . . . 0.0 111.977 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.9 tt -91.69 -15.95 8.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 118.406 -2.684 . . . . 0.0 107.404 -175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.25 18.4 tt0 -64.31 -45.04 89.67 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 124.667 1.187 . . . . 0.0 112.485 162.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -57.38 -51.99 67.17 Favored 'General case' 0 C--N 1.364 1.219 0 O-C-N 125.185 1.553 . . . . 0.0 110.99 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -60.37 -55.56 32.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.57 -1.956 . . . . 0.0 115.83 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -124.41 -18.85 5.64 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.815 0.816 . . . . 0.0 112.696 -160.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.5 30.77 20.85 Favored Glycine 0 C--N 1.364 2.086 0 O-C-N 120.35 -1.469 . . . . 0.0 114.824 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.9 pp -71.96 150.55 92.74 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 115.225 -2.321 . . . . 0.0 109.211 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -88.42 108.41 0.54 Allowed 'Trans proline' 0 C--N 1.282 -2.963 0 CA-C-O 112.704 -3.124 . . . . 0.0 116.903 174.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -43.68 -53.76 4.2 Favored 'Trans proline' 0 N--CA 1.523 3.221 1 C-N-CA 125.407 4.072 . . . . 0.0 118.174 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.62 -31.68 69.72 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 125.167 1.542 . . . . 0.0 113.968 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -78.45 -15.38 58.7 Favored 'General case' 0 C--N 1.367 1.352 0 O-C-N 119.551 -1.968 . . . . 0.0 114.727 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -123.92 120.59 32.98 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -166.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -100.11 120.52 39.98 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.774 2.03 . . . . 0.0 108.8 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.7 tp -78.54 128.93 34.23 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.934 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.92 141.2 20.07 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 119.959 -1.713 . . . . 0.0 108.696 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.68 139.29 49.02 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.541 2.4 . . . . 0.0 109.944 159.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.316 . . 40.18 55.61 2.68 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 125.29 1.436 . . . . 0.0 114.135 -176.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.93 -1.02 18.57 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 118.336 2.094 . . . . 0.0 118.336 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -121.59 127.47 50.94 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 118.796 1.298 . . . . 0.0 109.053 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.56 132.97 55.59 Favored 'General case' 0 N--CA 1.513 2.707 0 C-N-CA 125.671 1.589 . . . . 0.0 112.19 170.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.34 122.08 44.71 Favored 'General case' 0 N--CA 1.514 2.733 0 CA-C-O 116.8 -1.572 . . . . 0.0 109.806 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.4 140.97 57.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 125.633 1.833 . . . . 0.0 114.038 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.91 -39.66 90.2 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 123.566 1.65 . . . . 0.0 113.107 -171.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.78 -24.56 62.54 Favored Glycine 0 C--N 1.37 2.463 0 N-CA-C 119.723 2.649 . . . . 0.0 119.723 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -95.42 149.8 20.99 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.422 1.489 . . . . 0.0 113.089 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 p -77.55 167.61 21.33 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 117.745 -1.582 . . . . 0.0 113.323 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.77 -45.09 94.31 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.703 1.601 . . . . 0.0 111.27 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -66.29 -41.57 89.6 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 128.008 3.318 . . . . 0.0 110.828 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.86 -44.68 86.72 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 119.714 1.143 . . . . 0.0 112.452 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -81.34 -7.27 59.55 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.653 1.581 . . . . 0.0 114.445 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.52 36.94 2.74 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.869 1.667 . . . . 0.0 112.686 175.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.6 mm -85.15 131.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.371 1.511 0 C-N-CA 124.323 1.049 . . . . 0.0 110.175 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -111.49 159.01 18.49 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 125.633 1.833 . . . . 0.0 110.2 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.01 146.77 31.56 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-N 111.455 -2.611 . . . . 0.0 113.235 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.304 39.2 mt-10 77.35 0.33 2.94 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.6 m -82.63 148.56 27.91 Favored 'General case' 0 CA--C 1.564 1.493 0 CA-C-O 123.512 1.625 . . . . 0.0 110.104 173.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.0 m -109.08 128.96 55.43 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -165.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mp -127.15 158.73 36.27 Favored 'General case' 0 C--O 1.196 -1.743 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -132.53 115.24 15.23 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.4 -2.063 . . . . 0.0 110.76 -166.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.23 140.27 57.11 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.933 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 CA--C 1.557 1.241 0 CA-C-N 119.462 1.028 . . . . 0.0 109.297 173.768 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.543 0.687 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.59 140.5 29.48 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-O 121.867 0.841 . . . . 0.0 110.288 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.1 168.92 21.48 Favored 'Isoleucine or valine' 0 C--N 1.374 1.633 0 O-C-N 120.124 -1.61 . . . . 0.0 109.18 159.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -113.41 143.88 43.73 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.65 111.84 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 173.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -105.06 112.41 25.53 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.212 -0.93 . . . . 0.0 109.618 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -66.6 147.69 52.93 Favored 'General case' 0 C--N 1.37 1.465 0 CA-C-O 122.581 1.182 . . . . 0.0 112.328 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 8' ' ' LEU . 13.1 tp -62.76 -11.6 18.67 Favored 'General case' 0 N--CA 1.504 2.266 0 CA-C-O 121.964 0.887 . . . . 0.0 111.952 174.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.6 p -86.83 -8.96 56.83 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.066 -1.647 . . . . 0.0 114.452 169.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.96 32.52 6.14 Favored Glycine 0 C--O 1.256 1.526 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 172.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -117.45 123.2 45.8 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-O 122.378 1.085 . . . . 0.0 111.217 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.9 m -97.75 107.08 19.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -172.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mm -92.51 128.03 44.33 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 125.973 2.046 . . . . 0.0 110.365 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.4 p -76.06 120.17 21.0 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 126.47 2.356 . . . . 0.0 112.822 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 tp -129.57 151.03 50.63 Favored 'General case' 0 C--N 1.401 2.817 0 O-C-N 119.684 -1.885 . . . . 0.0 111.468 174.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -114.51 123.53 49.62 Favored 'General case' 0 C--N 1.375 1.706 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.06 165.29 28.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 125.512 1.525 . . . . 0.0 109.575 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -105.29 163.49 17.03 Favored Pre-proline 0 CA--C 1.557 1.248 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.26 -23.87 15.06 Favored 'Trans proline' 0 N--CA 1.506 2.228 0 C-N-CA 121.419 1.413 . . . . 0.0 113.279 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 p -81.01 -0.51 39.97 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 171.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -66.91 146.7 54.11 Favored 'General case' 0 C--N 1.378 1.839 0 CA-C-N 119.787 1.176 . . . . 0.0 111.261 171.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -96.25 162.86 13.33 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 126.934 2.646 . . . . 0.0 108.903 172.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 HG13 ' HB3' ' A' ' 50' ' ' LEU . 19.4 mm -60.92 -38.14 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 113.808 -1.542 . . . . 0.0 114.547 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -58.62 -36.69 74.46 Favored 'General case' 0 C--O 1.272 2.279 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 160.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.44 -43.19 97.09 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 120.806 1.639 . . . . 0.0 112.546 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.04 -39.25 81.62 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 123.565 1.65 . . . . 0.0 113.793 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.96 -39.22 88.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 118.588 -2.57 . . . . 0.0 112.349 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.91 41.79 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -76.21 -36.22 58.7 Favored 'General case' 0 N--CA 1.415 -2.222 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.42 -43.4 90.35 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 165.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -59.77 -32.82 70.95 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 118.559 2.799 . . . . 0.0 118.559 171.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.91 -47.93 75.99 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.406 161.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -62.86 -46.91 85.69 Favored 'General case' 0 C--O 1.25 1.122 0 C-N-CA 118.257 -1.377 . . . . 0.0 114.431 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -135.16 -11.0 2.23 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 125.615 1.822 . . . . 0.0 111.9 -158.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 24.38 61.56 Favored Glycine 0 CA--C 1.544 1.88 0 N-CA-C 116.945 1.538 . . . . 0.0 116.945 174.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.7 mt -92.14 124.65 59.22 Favored Pre-proline 0 C--O 1.218 -0.597 0 CA-C-O 112.111 -3.804 . . . . 0.0 108.038 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -46.42 128.73 12.77 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 O-C-N 125.3 2.211 . . . . 0.0 111.931 -168.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.92 -28.02 11.64 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 CA-C-N 121.403 1.537 . . . . 0.0 113.718 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -11.15 60.62 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.441 1.713 . . . . 0.0 112.4 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -117.87 13.75 14.11 Favored 'General case' 0 CA--C 1.56 1.34 0 O-C-N 121.089 -1.007 . . . . 0.0 111.976 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -97.15 139.71 32.74 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -118.95 110.09 16.73 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 127.26 41.36 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 125.668 1.855 . . . . 0.0 111.134 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -115.53 143.7 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -116.06 113.41 23.13 Favored 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 122.171 0.986 . . . . 0.0 112.165 161.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.91 45.49 6.41 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.66 6.7 52.34 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 117.753 1.861 . . . . 0.0 117.753 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -135.05 114.24 12.23 Favored 'General case' 0 CA--C 1.585 2.306 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.71 125.78 25.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.289 1.436 . . . . 0.0 107.613 171.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HB3' HG13 ' A' ' 23' ' ' ILE . 38.9 mt -99.78 114.61 27.87 Favored 'General case' 0 N--CA 1.406 -2.661 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 -167.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.94 141.31 54.01 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.203 1.401 . . . . 0.0 111.107 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.86 -32.97 69.93 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 117.167 -1.397 . . . . 0.0 113.987 -160.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.42 62.85 Favored Glycine 0 N--CA 1.505 3.284 0 O-C-N 128.164 3.415 . . . . 0.0 111.883 -171.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -77.85 158.46 29.45 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.461 -1.023 . . . . 0.0 110.081 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.2 p -107.42 163.01 13.41 Favored 'General case' 0 C--O 1.194 -1.851 0 CA-C-N 118.947 0.794 . . . . 0.0 109.663 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.2 mt -57.99 -36.83 73.19 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.4 m -54.97 -39.22 68.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 170.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.85 -36.84 81.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.48 1.512 . . . . 0.0 111.581 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -99.33 8.6 44.54 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -178.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m120 67.81 44.64 1.55 Allowed 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 121.522 -0.736 . . . . 0.0 109.29 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.0 mt -98.32 101.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.459 1.6 . . . . 0.0 108.015 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -89.38 162.26 15.88 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.262 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -53.51 140.86 26.93 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.603 -1.311 . . . . 0.0 112.969 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.282 47.4 mt-10 62.28 17.88 9.71 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.081 1.752 . . . . 0.0 115.044 -168.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -71.82 143.19 49.56 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-O 122.709 1.242 . . . . 0.0 108.689 166.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.03 121.47 38.95 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.658 -1.61 . . . . 0.0 106.726 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.86 153.15 19.0 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-O 122.615 1.198 . . . . 0.0 107.837 168.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -102.22 136.59 41.77 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 124.309 2.004 . . . . 0.0 107.755 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 tp -108.74 128.41 54.85 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.429 HG21 ' HB2' ' A' ' 8' ' ' LEU . 91.2 t . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.525 3.31 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.15 134.21 50.15 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 119.566 -1.959 . . . . 0.0 114.363 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.69 161.83 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 163.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -108.83 146.5 33.56 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 124.051 1.882 . . . . 0.0 109.656 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.15 125.72 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 CA-C-N 112.523 -2.126 . . . . 0.0 108.619 164.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.18 129.02 34.89 Favored 'General case' 0 C--N 1.363 1.192 0 O-C-N 127.536 3.023 . . . . 0.0 110.664 160.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -96.47 168.29 10.64 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 114.081 -1.418 . . . . 0.0 114.035 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.13 -8.37 56.36 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 p -98.88 2.91 47.06 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 124.06 0.944 . . . . 0.0 109.631 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.05 28.96 57.67 Favored Glycine 0 N--CA 1.424 -2.104 0 CA-C-O 118.728 -1.04 . . . . 0.0 113.041 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.25 70.9 tttt -92.72 149.64 21.18 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 118.517 1.159 . . . . 0.0 110.267 167.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -112.17 129.02 56.39 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 pt -123.69 142.12 41.51 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.308 0 CA-C-N 112.8 -2.0 . . . . 0.0 111.505 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -105.65 131.15 53.38 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 126.271 2.232 . . . . 0.0 108.345 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -129.67 161.01 31.58 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -169.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -126.31 118.95 26.14 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 124.925 2.298 . . . . 0.0 107.098 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.2 m -151.54 158.3 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 125.356 1.462 . . . . 0.0 107.348 -175.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -111.01 164.13 15.64 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 119.588 -1.945 . . . . 0.0 111.069 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -45.38 -41.13 17.65 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 N-CA-C 117.749 2.173 . . . . 0.0 117.749 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -90.95 1.11 57.3 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 118.912 -2.368 . . . . 0.0 113.041 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -66.61 135.92 54.84 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.82 1.191 . . . . 0.0 113.419 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -67.05 151.81 46.94 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 121.001 -1.062 . . . . 0.0 111.427 171.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.58 -30.09 48.4 Favored 'Isoleucine or valine' 0 C--N 1.39 2.342 0 O-C-N 124.742 1.276 . . . . 0.0 110.51 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.85 -43.5 73.11 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.039 1.336 . . . . 0.0 113.736 170.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -73.76 -27.3 61.09 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 119.466 1.03 . . . . 0.0 112.078 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 t -67.81 -45.34 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 169.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -57.28 -40.7 78.31 Favored 'General case' 0 N--CA 1.513 2.725 0 CA-C-O 126.484 3.04 . . . . 0.0 112.703 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.04 73.49 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 111.767 -2.47 . . . . 0.0 114.414 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.46 -26.24 51.25 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.4 -35.89 34.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.281 0 O-C-N 119.511 -1.993 . . . . 0.0 108.641 169.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.342 1.9 tp-100 -53.24 -53.02 56.88 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 125.195 1.559 . . . . 0.0 113.92 168.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -49.61 -51.4 37.7 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 128.123 2.569 . . . . 0.0 113.26 169.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -67.25 -62.61 1.34 Allowed 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -106.75 -7.93 17.03 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 116.544 -1.694 . . . . 0.0 111.778 -161.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.33 11.75 64.09 Favored Glycine 1 CA--C 1.583 4.293 0 CA-C-N 122.307 2.321 . . . . 0.0 115.712 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mm -92.14 112.71 56.37 Favored Pre-proline 0 C--N 1.378 1.814 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.886 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.37 133.12 19.97 Favored 'Trans proline' 0 N--CA 1.512 2.599 0 C-N-CA 122.714 2.276 . . . . 0.0 113.346 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.39 -26.75 76.95 Favored 'Trans proline' 0 CA--C 1.48 -2.175 0 N-CA-C 117.425 2.048 . . . . 0.0 117.425 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.38 -15.58 61.85 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 125.006 1.441 . . . . 0.0 113.557 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -96.67 7.46 46.51 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 126.527 2.392 . . . . 0.0 108.963 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -112.83 153.91 27.11 Favored 'General case' 0 CA--C 1.572 1.803 0 C-N-CA 122.582 0.353 . . . . 0.0 110.991 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -147.2 121.18 9.38 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 170.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -95.12 148.92 21.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.68 -2.512 . . . . 0.0 114.9 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.4 mt -133.68 144.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 O-C-N 120.193 -1.567 . . . . 0.0 108.5 -174.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -148.0 145.14 28.4 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 114.637 -2.602 . . . . 0.0 105.734 165.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.64 30.74 16.96 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 128.472 3.608 . . . . 0.0 112.714 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.67 80.82 Favored Glycine 0 C--N 1.302 -1.339 0 N-CA-C 117.615 1.806 . . . . 0.0 117.615 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -137.87 145.66 42.45 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 118.111 0.956 . . . . 0.0 108.636 -166.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.59 142.25 27.99 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 127.379 2.925 . . . . 0.0 109.752 -170.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.07 124.86 53.57 Favored 'General case' 0 C--O 1.205 -1.273 0 O-C-N 124.847 1.342 . . . . 0.0 108.796 -171.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.29 139.98 57.31 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.08 -41.43 96.63 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 112.141 -2.3 . . . . 0.0 113.726 -167.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.39 10.13 55.89 Favored Glycine 0 CA--C 1.546 1.978 0 CA-C-O 115.01 -3.105 . . . . 0.0 111.822 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.433 HH21 ' CG ' ' A' ' 58' ' ' ASP . 19.8 mmm180 -113.04 169.23 9.08 Favored 'General case' 0 C--N 1.375 1.706 0 CA-C-N 123.055 3.427 . . . . 0.0 105.074 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -118.24 168.61 10.44 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-O 123.926 1.822 . . . . 0.0 110.428 -161.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.16 -36.01 78.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 118.74 -2.475 . . . . 0.0 114.577 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.252 43.3 t -55.27 -46.83 76.15 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 126.077 2.11 . . . . 0.0 115.048 161.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' CG ' HH21 ' A' ' 54' ' ' ARG . 73.1 m-20 -58.68 -43.2 89.86 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-O 125.618 2.628 . . . . 0.0 112.217 177.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -92.2 1.99 56.88 Favored 'General case' 0 N--CA 1.41 -2.447 0 CA-C-N 111.96 -2.382 . . . . 0.0 113.442 -173.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 t30 45.48 48.36 10.91 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 127.562 2.345 . . . . 0.0 116.982 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -76.73 144.87 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.788 0 CA-C-N 112.706 -2.043 . . . . 0.0 110.159 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -108.34 171.82 7.19 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.471 1.109 . . . . 0.0 111.031 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -60.87 139.57 57.94 Favored 'General case' 0 C--N 1.368 1.4 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 56.68 30.18 17.06 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.8 2.44 . . . . 0.0 115.48 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -66.87 157.9 31.95 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 121.233 -0.917 . . . . 0.0 111.795 170.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -113.14 109.09 18.21 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.871 1.32 . . . . 0.0 110.83 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -85.66 149.03 25.6 Favored 'General case' 0 CA--C 1.555 1.155 1 CA-C-N 108.125 -4.125 . . . . 0.0 110.618 169.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -118.55 131.54 56.21 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 101.452 -3.536 . . . . 0.0 101.452 -175.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 128.13 51.23 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-O 122.296 1.046 . . . . 0.0 111.323 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.564 1.506 0 C-N-CA 126.521 1.928 . . . . 0.0 108.029 172.205 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.54 153.71 24.73 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 124.271 1.986 . . . . 0.0 114.71 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 pt -140.01 161.16 26.17 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 O-C-N 119.748 -1.845 . . . . 0.0 109.094 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -111.54 122.52 48.05 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 112.798 -2.001 . . . . 0.0 106.524 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.73 113.75 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -85.07 123.73 30.93 Favored 'General case' 0 C--N 1.378 1.842 0 C-N-CA 123.471 0.708 . . . . 0.0 109.803 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 152.85 23.11 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 126.643 2.464 . . . . 0.0 110.075 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.77 -19.47 64.32 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.083 -2.261 . . . . 0.0 110.53 164.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -90.38 9.11 30.27 Favored 'General case' 0 C--N 1.39 2.335 0 O-C-N 127.46 2.975 . . . . 0.0 113.582 -172.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.88 37.3 16.51 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 120.453 -0.879 . . . . 0.0 114.773 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.8 168.69 19.26 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -137.36 114.18 10.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 103.12 -2.919 . . . . 0.0 103.12 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -83.38 112.58 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 111.969 -2.378 . . . . 0.0 112.469 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.7 m -81.88 118.25 22.78 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.236 -1.802 . . . . 0.0 110.15 170.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 pp -127.07 141.09 51.86 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 118.156 -1.418 . . . . 0.0 112.071 169.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -86.07 135.12 33.75 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.42 171.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.93 146.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.405 1.482 . . . . 0.0 112.162 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.62 156.41 65.12 Favored Pre-proline 0 C--N 1.372 1.585 0 C-N-CA 127.204 2.201 . . . . 0.0 109.572 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -72.23 -12.79 28.01 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 CA-C-N 124.27 2.561 . . . . 0.0 109.786 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 p -94.16 -0.84 54.99 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.47 149.85 49.35 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.16 -1.587 . . . . 0.0 108.896 172.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -97.97 155.55 17.04 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.795 1.934 . . . . 0.0 108.778 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -59.85 -34.82 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 O-C-N 118.171 -2.831 . . . . 0.0 110.464 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -42.29 -48.25 4.94 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 162.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -70.24 -32.93 71.0 Favored 'General case' 0 CA--C 1.598 2.805 0 C-N-CA 124.994 1.318 . . . . 0.0 111.313 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.57 -44.68 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.627 0 O-C-N 119.824 -1.798 . . . . 0.0 108.862 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.43 -38.53 87.61 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 127.512 3.008 . . . . 0.0 114.914 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.1 -30.59 67.83 Favored 'General case' 0 CA--C 1.581 2.148 0 O-C-N 126.107 2.13 . . . . 0.0 113.723 164.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.308 63.9 mttm -59.73 -42.94 94.27 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 115.346 -2.264 . . . . 0.0 113.784 163.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.8 mm -63.5 -33.31 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.759 0 O-C-N 125.557 1.785 . . . . 0.0 113.012 172.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.14 -41.83 84.56 Favored 'General case' 0 N--CA 1.428 -1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 111.147 173.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.57 -53.2 37.1 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.607 -1.308 . . . . 0.0 111.374 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -76.49 -24.15 53.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 116.204 -1.855 . . . . 0.0 113.515 -163.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -140.13 -8.06 1.18 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.784 1.302 . . . . 0.0 111.218 -175.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.07 31.06 44.23 Favored Glycine 0 C--N 1.364 2.131 0 CA-C-N 119.942 1.247 . . . . 0.0 114.606 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -99.64 122.15 52.26 Favored Pre-proline 0 C--O 1.255 1.366 0 C-N-CA 125.647 1.579 . . . . 0.0 111.452 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -65.75 149.26 87.06 Favored 'Trans proline' 0 C--N 1.301 -1.969 0 CA-C-O 113.788 -2.672 . . . . 0.0 111.119 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -59.2 -24.9 76.09 Favored 'Trans proline' 0 N--CA 1.513 2.671 0 C-N-CA 123.338 2.692 . . . . 0.0 117.547 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.79 -14.18 58.89 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.597 1.544 . . . . 0.0 108.938 -174.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -84.48 -10.72 57.22 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.698 -0.626 . . . . 0.0 111.51 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -106.07 141.09 38.03 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 117.278 -1.769 . . . . 0.0 110.465 -164.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -131.7 131.96 43.51 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.705 -3.813 . . . . 0.0 100.705 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -110.72 136.61 49.53 Favored 'General case' 0 N--CA 1.395 -3.185 0 CA-C-O 122.171 0.986 . . . . 0.0 112.336 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -122.84 133.11 69.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.131 0 CA-C-O 116.291 -1.814 . . . . 0.0 108.261 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -143.66 135.98 26.92 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 101.81 -3.404 . . . . 0.0 101.81 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.9 30.31 18.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.505 1.922 . . . . 0.0 115.048 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.29 16.81 60.83 Favored Glycine 0 C--O 1.252 1.242 0 CA-C-O 116.457 -2.301 . . . . 0.0 117.912 -169.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -122.02 151.41 40.86 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 124.408 2.051 . . . . 0.0 111.002 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.4 131.27 42.38 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 111.051 -2.795 . . . . 0.0 109.833 -174.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -97.32 128.08 43.85 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.931 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -84.65 146.03 27.68 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.74 -46.24 90.48 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 118.928 2.936 . . . . 0.0 118.928 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.83 -17.5 79.31 Favored Glycine 0 N--CA 1.489 2.167 0 CA-C-N 120.555 1.525 . . . . 0.0 114.177 -174.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -67.9 138.69 56.21 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 127.073 2.278 . . . . 0.0 112.878 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.411 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 68.5 p -82.42 166.68 19.18 Favored 'General case' 0 CA--C 1.558 1.265 0 O-C-N 119.9 -1.75 . . . . 0.0 113.651 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.42 -41.06 88.67 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 112.593 -2.094 . . . . 0.0 109.931 169.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -54.09 -45.33 71.77 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 82.1 m-20 -53.33 -37.92 62.75 Favored 'General case' 0 C--O 1.251 1.18 0 C-N-CA 126.735 2.014 . . . . 0.0 113.077 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -97.87 0.03 45.91 Favored 'General case' 0 CA--C 1.485 -1.519 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.275 25.5 m120 62.2 44.45 7.71 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.854 1.662 . . . . 0.0 113.688 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 mt -83.57 118.33 30.87 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-O 122.289 1.042 . . . . 0.0 111.184 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.79 167.44 11.26 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.211 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 142.79 12.49 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.264 37.9 mt-10 71.56 16.55 5.84 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.744 174.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.1 m -75.74 157.89 32.95 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 118.648 -1.221 . . . . 0.0 114.242 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.2 m -110.38 116.63 31.78 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.023 -2.298 . . . . 0.0 105.032 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.3 163.24 13.16 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 122.898 1.333 . . . . 0.0 112.584 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -117.8 139.88 50.46 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 118.822 -2.424 . . . . 0.0 110.253 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -114.73 128.33 56.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.575 2.35 . . . . 0.0 109.225 -175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.435 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.528 3.446 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.55 149.6 24.25 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 126.367 2.292 . . . . 0.0 115.863 169.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 pt -138.7 168.11 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 112.415 -2.175 . . . . 0.0 107.556 164.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.14 138.88 53.34 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.78 -1.2 . . . . 0.0 110.714 -174.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.78 127.84 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 168.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -86.12 124.21 32.28 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 165.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -101.42 140.61 35.47 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.7 mt -86.36 13.1 8.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 109.08 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.2 p -91.31 -6.81 52.55 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.911 -1.118 . . . . 0.0 111.325 166.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.41 35.16 2.52 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 124.944 1.403 . . . . 0.0 112.044 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -136.4 157.78 45.98 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.99 1.895 . . . . 0.0 113.63 170.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 m -105.89 132.24 52.24 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.224 1.012 . . . . 0.0 109.136 173.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -108.86 143.14 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 m -113.88 126.09 54.79 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.47 0.481 . . . . 0.0 110.614 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.404 HD21 ' HB3' ' A' ' 29' ' ' LYS . 97.2 mt -112.78 126.95 55.98 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -91.65 122.22 34.02 Favored 'General case' 0 C--N 1.378 1.807 0 CA-C-O 124.27 1.986 . . . . 0.0 110.038 165.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.63 163.21 31.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.327 0 CA-C-N 111.124 -2.762 . . . . 0.0 111.525 -174.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -112.73 143.42 28.98 Favored Pre-proline 0 N--CA 1.483 1.214 1 N-CA-C 99.797 -4.149 . . . . 0.0 99.797 174.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.23 -6.46 13.25 Favored 'Trans proline' 0 N--CA 1.508 2.332 0 CA-C-N 124.146 2.517 . . . . 0.0 117.337 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -87.4 -3.97 59.02 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 117.995 -1.482 . . . . 0.0 112.228 166.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -71.72 145.26 48.91 Favored 'General case' 0 C--N 1.362 1.132 0 CA-C-N 122.369 2.35 . . . . 0.0 114.248 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 163.48 25.05 Favored 'General case' 0 C--O 1.26 1.645 0 O-C-N 119.152 -2.217 . . . . 0.0 114.058 172.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.09 -34.2 68.65 Favored 'Isoleucine or valine' 0 C--N 1.373 1.6 0 CA-C-N 110.319 -3.128 . . . . 0.0 111.737 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -58.08 -40.49 81.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.361 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.12 -42.24 89.44 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 116.97 -1.49 . . . . 0.0 112.799 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.43 -43.87 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 126.46 2.35 . . . . 0.0 110.382 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 26.2 mtpt -61.16 -31.31 71.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 119.997 -1.69 . . . . 0.0 113.872 171.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.59 -26.73 66.42 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 119.169 -1.013 . . . . 0.0 113.149 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB3' HD21 ' A' ' 15' ' ' LEU . 77.4 mttt -87.09 -28.7 22.37 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.001 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.02 -45.33 98.96 Favored 'Isoleucine or valine' 0 C--N 1.406 3.03 0 O-C-N 125.919 2.012 . . . . 0.0 110.073 164.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -64.48 -45.16 88.55 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.354 1.034 . . . . 0.0 110.528 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.23 -44.45 95.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 117.052 -1.451 . . . . 0.0 110.986 176.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -70.8 -56.69 5.78 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 119.082 2.993 . . . . 0.0 119.082 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -106.55 -3.25 21.01 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 123.792 0.682 . . . . 0.0 112.665 -165.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 28.1 64.04 Favored Glycine 0 N--CA 1.499 2.893 0 O-C-N 119.716 -1.865 . . . . 0.0 113.465 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.3 mt -98.39 128.73 32.29 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -54.23 129.98 37.32 Favored 'Trans proline' 0 N--CA 1.533 3.84 0 N-CA-C 117.583 2.109 . . . . 0.0 117.583 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -63.71 -19.01 66.53 Favored 'Trans proline' 0 N--CA 1.513 2.645 0 CA-C-N 121.453 1.555 . . . . 0.0 114.36 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.59 -34.95 67.67 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -97.76 -5.48 34.88 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 123.086 2.676 . . . . 0.0 114.182 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -84.94 128.41 34.61 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -123.53 127.79 48.83 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 124.411 1.07 . . . . 0.0 110.749 155.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.97 143.81 26.6 Favored 'General case' 0 C--N 1.366 1.286 0 CA-C-O 116.821 -1.562 . . . . 0.0 107.775 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -126.81 124.02 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.825 0 O-C-N 127.149 2.78 . . . . 0.0 105.93 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -118.63 95.83 5.02 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 123.949 1.833 . . . . 0.0 107.671 -170.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.82 42.97 0.68 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 118.035 2.605 . . . . 0.0 118.035 -163.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 -21.79 35.46 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 117.304 -1.831 . . . . 0.0 111.394 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -87.7 120.47 29.06 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 118.847 1.324 . . . . 0.0 111.456 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -81.1 128.25 33.53 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.093 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -75.87 162.79 27.83 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 125.505 1.753 . . . . 0.0 111.115 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -112.49 143.52 43.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 83.0 m-20 -58.56 -40.87 84.3 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 125.53 1.769 . . . . 0.0 115.464 -168.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.62 -4.49 76.2 Favored Glycine 0 CA--C 1.551 2.304 0 O-C-N 119.136 -2.227 . . . . 0.0 114.971 -165.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -83.33 158.62 22.11 Favored 'General case' 0 N--CA 1.511 2.606 0 CA-C-N 119.367 1.584 . . . . 0.0 109.954 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.7 p -90.93 153.47 20.16 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.579 1.657 . . . . 0.0 111.552 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.18 -35.95 60.4 Favored 'General case' 0 CA--C 1.577 2.006 0 O-C-N 119.877 -1.764 . . . . 0.0 110.304 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.8 t -59.37 -30.1 68.16 Favored 'General case' 0 CA--C 1.58 2.115 0 O-C-N 119.794 -1.816 . . . . 0.0 112.971 173.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.96 -21.0 60.18 Favored 'General case' 0 C--N 1.389 2.309 0 CA-C-N 119.888 1.222 . . . . 0.0 111.439 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -99.79 0.03 40.79 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 116.753 -1.594 . . . . 0.0 113.628 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.266 59.7 m-20 40.2 49.54 2.45 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 125.5 2.571 . . . . 0.0 116.399 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.82 122.13 31.98 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-N 113.694 -1.594 . . . . 0.0 108.171 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -112.65 169.35 8.96 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 110.668 -2.969 . . . . 0.0 113.807 -173.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 141.87 44.66 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 68.91 15.6 8.88 Favored 'General case' 0 N--CA 1.491 1.579 1 O-C-N 129.18 4.05 . . . . 0.0 112.816 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -73.7 160.82 30.99 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.685 -1.26 . . . . 0.0 112.462 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.0 m -123.88 112.47 17.29 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.845 1.658 . . . . 0.0 108.503 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.9 mt -111.09 149.6 30.59 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-O 123.689 1.709 . . . . 0.0 109.319 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -109.89 137.68 47.33 Favored 'General case' 0 CA--C 1.481 -1.682 0 O-C-N 119.304 -2.122 . . . . 0.0 106.579 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.75 109.64 21.58 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.778 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 174.829 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.426 ' HE3' HG21 ' A' ' 3' ' ' ILE 0.293 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.593 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 . . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -87.55 135.15 33.47 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.131 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.426 HG21 ' HE3' ' A' ' 1' ' ' MET . 2.4 pp -126.54 167.53 21.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 104.94 -2.245 . . . . 0.0 104.94 173.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -122.09 153.75 38.27 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 123.75 1.738 . . . . 0.0 109.022 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.28 125.84 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 O-C-N 120.77 -1.206 . . . . 0.0 107.845 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -106.11 127.97 53.56 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -89.48 155.95 18.96 Favored 'General case' 0 C--O 1.258 1.513 0 CA-C-O 124.96 2.314 . . . . 0.0 109.091 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.64 -37.34 81.19 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.073 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -32.82 68.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 173.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.56 26.46 2.38 Favored Glycine 0 CA--C 1.474 -2.514 0 CA-C-O 118.018 -1.434 . . . . 0.0 114.819 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -108.43 149.94 28.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -116.27 114.07 23.87 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -86.05 138.23 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -109.81 105.44 14.66 Favored 'General case' 0 C--N 1.395 2.554 0 N-CA-C 104.727 -2.323 . . . . 0.0 104.727 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -113.43 124.82 53.33 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 101.119 -3.66 . . . . 0.0 101.119 -161.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -96.71 122.84 40.09 Favored 'General case' 0 N--CA 1.536 3.833 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.992 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.04 166.0 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.798 0 O-C-N 118.09 -2.881 . . . . 0.0 108.341 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -96.13 138.77 21.59 Favored Pre-proline 0 C--O 1.203 -1.37 0 CA-C-N 110.727 -2.942 . . . . 0.0 103.885 171.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.22 -28.06 69.28 Favored 'Trans proline' 0 N--CA 1.533 3.852 0 CA-C-N 122.738 2.014 . . . . 0.0 114.869 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.3 p -89.23 20.76 3.56 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 117.757 -1.116 . . . . 0.0 113.489 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.56 144.99 35.06 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 125.157 1.536 . . . . 0.0 114.398 166.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.8 p -84.02 160.8 20.92 Favored 'General case' 0 N--CA 1.52 3.035 0 CA-C-N 113.487 -1.688 . . . . 0.0 108.271 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.88 -34.84 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 119.422 -2.049 . . . . 0.0 111.239 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.42 -42.93 83.29 Favored 'General case' 0 CA--C 1.572 1.827 0 C-N-CA 117.801 -1.56 . . . . 0.0 114.753 170.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -64.46 -37.37 87.3 Favored 'General case' 1 N--CA 1.54 4.048 0 C-N-CA 125.625 1.57 . . . . 0.0 110.799 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.76 -41.74 89.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 126.98 2.675 . . . . 0.0 110.411 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.28 -42.03 97.96 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.716 1.606 . . . . 0.0 112.477 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.56 64.3 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 123.287 1.518 . . . . 0.0 112.575 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.37 -37.47 66.03 Favored 'General case' 0 C--O 1.269 2.101 0 O-C-N 119.842 -1.786 . . . . 0.0 111.47 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.85 -30.11 49.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 O-C-N 123.686 0.617 . . . . 0.0 111.197 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -59.92 -49.46 77.6 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.577 1.551 . . . . 0.0 109.784 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.53 -42.68 99.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 119.32 3.082 . . . . 0.0 119.32 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -121.9 -16.96 7.47 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.183 1.81 . . . . 0.0 112.832 -172.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.88 56.56 8.03 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 -168.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.1 mt -124.47 120.72 25.96 Favored Pre-proline 0 C--N 1.394 2.507 0 CA-C-N 120.345 2.072 . . . . 0.0 106.071 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.34 141.4 95.63 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 CA-C-O 114.167 -2.514 . . . . 0.0 111.492 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -33.6 -44.72 0.32 Allowed 'Trans proline' 0 N--CA 1.527 3.45 1 C-N-CA 128.398 6.065 . . . . 0.0 117.007 172.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -86.68 -5.03 59.24 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.17 -21.81 36.34 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 117.456 -3.278 . . . . 0.0 110.529 167.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.79 122.9 30.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 127.358 2.911 . . . . 0.0 114.236 -170.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -118.21 123.81 46.39 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -105.23 133.84 49.33 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 124.688 2.185 . . . . 0.0 114.466 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -126.52 136.65 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.615 -169.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -131.25 130.05 42.37 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.24 33.58 11.52 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 162.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.19 74.65 Favored Glycine 0 CA--C 1.553 2.444 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.032 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -148.72 148.93 30.59 Favored 'General case' 0 CA--C 1.581 2.137 0 CA-C-N 118.842 1.321 . . . . 0.0 111.75 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.02 136.66 37.26 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 120.28 -1.512 . . . . 0.0 112.203 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 ' CE1' ' A' ' 59' ' ' TYR . 20.3 mt -70.73 139.5 51.13 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 117.622 -1.18 . . . . 0.0 113.325 175.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.96 139.46 44.87 Favored 'General case' 0 C--N 1.391 2.384 0 CA-C-N 118.763 0.71 . . . . 0.0 112.418 163.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -62.51 -40.67 97.47 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.51 0.87 75.02 Favored Glycine 0 N--CA 1.488 2.114 0 CA-C-N 120.167 1.349 . . . . 0.0 114.773 -171.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -83.16 150.06 26.48 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 116.307 -1.806 . . . . 0.0 111.228 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.1 p -96.65 164.58 12.53 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 125.315 1.634 . . . . 0.0 111.056 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.04 -19.98 63.27 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.626 1.679 . . . . 0.0 113.506 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -70.3 -35.15 73.5 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 116.465 -1.731 . . . . 0.0 113.744 168.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -65.33 -32.93 74.83 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 120.926 1.694 . . . . 0.0 111.75 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CE1' HD21 ' A' ' 50' ' ' LEU . 33.4 m-85 -86.37 -4.22 59.13 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 171.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.4 m120 57.24 38.66 28.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.181 0.515 . . . . 0.0 112.086 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.97 124.99 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.774 0.797 . . . . 0.0 110.988 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.14 153.15 26.17 Favored 'General case' 0 C--O 1.191 -2.0 0 CA-C-N 113.832 -1.531 . . . . 0.0 113.856 173.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -60.68 149.87 33.95 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.684 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 66.1 14.29 9.55 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 124.87 1.268 . . . . 0.0 114.38 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -95.65 170.67 9.17 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 119.234 0.925 . . . . 0.0 109.597 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.1 m -122.66 124.74 44.13 Favored 'General case' 0 C--O 1.19 -2.045 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -167.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.6 mt -90.7 139.67 30.5 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 165.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -94.53 144.37 25.64 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 122.84 1.305 . . . . 0.0 109.527 164.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 tp -114.06 128.93 56.6 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 N--CA 1.494 1.768 0 O-C-N 128.679 3.737 . . . . 0.0 110.059 177.466 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ptt? . . . . . 0 N--CA 1.5 2.056 0 N-CA-C 106.46 -1.682 . . . . 0.0 106.46 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -100.43 147.62 25.65 Favored 'General case' 0 N--CA 1.509 2.498 0 CA-C-N 114.345 -1.298 . . . . 0.0 113.71 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -141.16 159.55 22.87 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -120.83 133.29 55.32 Favored 'General case' 0 CA--C 1.475 -1.924 0 CA-C-N 109.836 -3.347 . . . . 0.0 105.018 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.46 123.98 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.042 0 O-C-N 125.204 1.565 . . . . 0.0 108.008 175.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -103.62 135.29 45.48 Favored 'General case' 0 C--O 1.202 -1.433 0 C-N-CA 127.46 2.304 . . . . 0.0 108.135 -171.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -95.47 166.11 12.02 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 tp -66.96 -30.67 70.86 Favored 'General case' 0 CA--C 1.576 1.967 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -92.76 17.58 10.19 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-O 116.522 -1.704 . . . . 0.0 115.034 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 -18.22 33.24 Favored Glycine 0 N--CA 1.514 3.838 0 CA-C-N 121.307 1.867 . . . . 0.0 115.437 158.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -68.54 151.57 46.58 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.489 -1.243 . . . . 0.0 113.175 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.0 m -125.22 133.44 52.72 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 123.519 2.872 . . . . 0.0 108.738 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.43 128.95 63.6 Favored 'Isoleucine or valine' 0 C--N 1.401 2.807 0 O-C-N 118.697 -2.502 . . . . 0.0 107.735 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -108.11 116.65 32.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.589 1.54 . . . . 0.0 107.396 -166.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD12 ' CG1' ' A' ' 30' ' ' ILE . 12.1 mt -115.62 135.25 54.25 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 112.146 -2.297 . . . . 0.0 110.686 -169.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -101.45 119.99 39.6 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.63 169.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 C-N-CA 126.863 2.065 . . . . 0.0 110.054 -164.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -119.41 154.54 54.2 Favored Pre-proline 0 C--N 1.368 1.401 0 O-C-N 120.698 -1.251 . . . . 0.0 113.853 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -41.75 -46.75 6.44 Favored 'Trans proline' 1 N--CA 1.547 4.673 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 171.253 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 p -86.74 25.84 1.21 Allowed 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 125.729 1.612 . . . . 0.0 110.684 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -100.19 136.97 39.26 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 168.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -78.44 162.61 26.27 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 124.478 2.085 . . . . 0.0 112.471 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.42 -34.99 73.77 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 113.202 -1.817 . . . . 0.0 109.625 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.77 -42.91 76.21 Favored 'General case' 0 C--N 1.373 1.619 0 CA-C-O 122.984 1.373 . . . . 0.0 114.308 171.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -67.01 -43.24 83.37 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-N 111.736 -2.484 . . . . 0.0 114.634 172.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.9 -42.56 95.15 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.205 0 O-C-N 119.549 -1.97 . . . . 0.0 109.667 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.48 -44.57 95.8 Favored 'General case' 0 N--CA 1.527 3.398 0 CA-C-O 122.874 1.321 . . . . 0.0 111.139 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.78 68.23 Favored 'General case' 0 CA--C 1.56 1.335 0 O-C-N 118.598 -2.564 . . . . 0.0 113.783 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -68.17 -35.7 78.46 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.113 0.87 . . . . 0.0 110.442 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.422 ' CG1' HD12 ' A' ' 15' ' ' LEU . 79.5 mt -74.51 -25.06 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.803 1.241 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.39 -45.78 87.67 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 127.563 2.345 . . . . 0.0 113.51 170.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -74.71 -21.96 59.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 126.307 2.254 . . . . 0.0 111.387 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -85.36 -62.1 1.61 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 122.615 1.198 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -115.29 14.71 16.9 Favored 'General case' 0 C--O 1.189 -2.121 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.908 -169.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.68 30.15 66.67 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 119.923 -1.735 . . . . 0.0 113.64 168.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mt -95.86 120.01 63.85 Favored Pre-proline 0 CA--C 1.576 1.979 0 CA-C-N 119.608 1.704 . . . . 0.0 110.339 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.97 130.9 8.19 Favored 'Trans proline' 0 N--CA 1.518 2.968 0 CA-C-N 120.561 1.236 . . . . 0.0 114.165 162.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -68.52 -34.35 20.22 Favored 'Trans proline' 0 N--CA 1.518 2.952 0 CA-C-O 122.059 0.774 . . . . 0.0 112.839 -160.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.26 -10.52 57.6 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.094 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -71.64 -14.3 62.02 Favored 'General case' 0 C--N 1.371 1.524 0 CA-C-N 122.877 2.58 . . . . 0.0 111.485 164.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -83.29 125.2 31.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 118.362 -2.711 . . . . 0.0 114.961 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.294 85.8 mtt180 -106.68 111.9 24.65 Favored 'General case' 0 N--CA 1.418 -2.028 0 C-N-CA 125.189 1.396 . . . . 0.0 110.792 163.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.28 111.02 23.48 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.4 mt -113.6 134.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.89 0 CA-C-O 124.441 2.067 . . . . 0.0 106.127 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -133.83 125.72 29.0 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 119.056 -2.277 . . . . 0.0 107.322 170.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.93 61.79 2.93 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 125.989 2.055 . . . . 0.0 113.414 166.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 5.2 88.59 Favored Glycine 0 N--CA 1.509 3.536 0 CA-C-N 113.324 -1.762 . . . . 0.0 114.751 165.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -154.49 163.85 39.56 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -71.63 150.17 44.89 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 mt -85.16 126.01 33.29 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.576 160.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.17 140.64 58.43 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 123.599 1.666 . . . . 0.0 113.99 166.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.38 -36.41 79.13 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -167.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.91 5.57 70.15 Favored Glycine 0 N--CA 1.512 3.705 0 C-N-CA 127.762 2.601 . . . . 0.0 111.59 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -110.95 154.92 23.43 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.083 1.942 . . . . 0.0 106.111 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -90.16 159.85 16.55 Favored 'General case' 0 N--CA 1.426 -1.633 0 O-C-N 124.088 0.867 . . . . 0.0 112.381 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 118.774 -2.454 . . . . 0.0 111.783 162.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -68.8 -33.4 73.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.954 1.252 . . . . 0.0 110.497 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -60.25 -45.76 92.15 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 127.456 2.302 . . . . 0.0 113.487 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -86.32 -6.8 58.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.793 1.308 . . . . 0.0 108.425 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 77.52 29.72 0.52 Allowed 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -95.35 123.91 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.191 0 CA-C-O 115.558 -2.163 . . . . 0.0 108.562 -164.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -93.77 162.39 13.94 Favored 'General case' 0 C--O 1.194 -1.86 0 O-C-N 126.708 2.505 . . . . 0.0 111.435 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.57 151.95 0.07 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 166.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.37 44.6 mt-10 72.99 -9.88 1.07 Allowed 'General case' 0 C--O 1.194 -1.854 0 O-C-N 119.348 -2.095 . . . . 0.0 114.423 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -52.42 147.1 8.56 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 122.725 2.511 . . . . 0.0 116.991 172.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -99.91 114.34 27.51 Favored 'General case' 0 C--N 1.373 1.61 0 N-CA-C 105.669 -1.975 . . . . 0.0 105.669 175.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.35 159.02 16.21 Favored 'General case' 0 CA--C 1.491 -1.312 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -117.58 142.26 47.4 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 120.803 1.638 . . . . 0.0 109.652 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.72 121.81 43.62 Favored 'General case' 0 N--CA 1.52 3.035 0 O-C-N 128.347 3.53 . . . . 0.0 112.795 -174.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 169.167 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -85.02 145.15 27.84 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-O 124.028 1.871 . . . . 0.0 109.603 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 pt -128.52 159.34 40.2 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 CA-C-N 111.288 -2.687 . . . . 0.0 106.006 164.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -109.41 135.14 50.93 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.335 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.36 115.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.846 0 O-C-N 124.887 1.367 . . . . 0.0 108.675 169.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.365 47.0 mtpt -107.08 118.25 36.2 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 123.725 1.726 . . . . 0.0 114.297 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.3 p -61.63 163.79 6.74 Favored 'General case' 0 C--N 1.423 3.786 0 O-C-N 117.935 -2.978 . . . . 0.0 114.072 171.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.2 -39.37 94.46 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 121.376 -0.828 . . . . 0.0 112.677 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.261 25.5 p -78.75 -17.23 56.14 Favored 'General case' 0 C--N 1.378 1.83 0 O-C-N 117.924 -2.985 . . . . 0.0 116.259 174.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.6 4.24 Favored Glycine 0 CA--C 1.557 2.711 0 CA-C-O 113.553 -3.915 . . . . 0.0 121.359 164.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -78.29 134.07 37.57 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 121.146 2.473 . . . . 0.0 114.06 165.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.8 m -96.55 126.29 41.63 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 124.88 1.362 . . . . 0.0 108.853 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.43 113.24 43.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 173.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.5 m -90.66 114.26 26.51 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 112.907 -1.951 . . . . 0.0 107.153 -172.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 mt -110.32 137.59 47.84 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 123.458 0.703 . . . . 0.0 112.054 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -101.33 118.22 36.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.616 -1.174 . . . . 0.0 111.173 172.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -147.56 160.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 O-C-N 124.739 1.274 . . . . 0.0 107.967 -174.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 31.0 mt-10 -100.77 165.59 14.02 Favored Pre-proline 0 CA--C 1.572 1.809 0 CA-C-O 117.248 -1.358 . . . . 0.0 109.0 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.57 -32.13 79.67 Favored 'Trans proline' 0 N--CA 1.531 3.692 0 CA-C-N 122.894 2.069 . . . . 0.0 116.097 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -93.79 5.85 50.31 Favored 'General case' 0 CA--C 1.567 1.611 0 O-C-N 120.389 -1.445 . . . . 0.0 110.595 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.53 154.4 32.61 Favored 'General case' 0 C--N 1.38 1.916 0 CA-C-O 123.442 1.591 . . . . 0.0 112.601 157.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.6 p -112.52 171.67 7.38 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 113.63 -1.623 . . . . 0.0 112.294 -164.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.16 -35.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.56 166.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.32 -36.14 81.26 Favored 'General case' 0 N--CA 1.518 2.975 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.949 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -60.39 -44.17 95.92 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.989 169.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.86 -47.06 89.94 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 CA-C-N 120.032 1.287 . . . . 0.0 112.675 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.68 -45.22 89.93 Favored 'General case' 0 C--N 1.375 1.676 0 CA-C-N 121.065 1.757 . . . . 0.0 115.095 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . 0.254 . . -57.37 -43.43 83.57 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 125.022 2.344 . . . . 0.0 112.053 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -66.29 -29.45 69.67 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 174.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -83.83 -25.31 7.6 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 125.512 1.758 . . . . 0.0 112.821 171.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.99 -50.0 70.07 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 157.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -61.5 -39.83 92.39 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 122.611 1.196 . . . . 0.0 114.003 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -80.93 -77.49 0.2 Allowed 'General case' 0 C--N 1.364 1.226 0 CA-C-O 114.774 -2.536 . . . . 0.0 111.675 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.301 76.7 mm-40 -88.4 -4.88 58.57 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.66 24.25 33.69 Favored Glycine 0 C--O 1.214 -1.129 0 O-C-N 127.255 2.847 . . . . 0.0 115.515 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.8 mt -96.27 132.53 26.51 Favored Pre-proline 0 N--CA 1.483 1.19 0 CA-C-O 116.427 -1.749 . . . . 0.0 111.733 -164.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -55.01 131.69 47.92 Favored 'Trans proline' 0 CA--C 1.563 1.955 0 C-N-CA 122.162 1.908 . . . . 0.0 112.367 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -47.95 -35.92 26.16 Favored 'Trans proline' 0 N--CA 1.508 2.366 1 C-N-CA 126.313 4.675 . . . . 0.0 114.032 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.7 -16.92 60.1 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-N 119.856 1.207 . . . . 0.0 113.32 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -87.26 -13.41 43.84 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 119.875 -1.765 . . . . 0.0 107.857 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.85 131.26 38.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 -168.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.08 113.7 23.52 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 160.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -105.77 124.61 49.85 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -123.18 133.5 68.93 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-O 124.135 1.922 . . . . 0.0 108.936 -163.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -146.72 147.2 30.72 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 104.986 -2.227 . . . . 0.0 104.986 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.91 36.17 23.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.072 1.749 . . . . 0.0 114.713 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.75 11.86 85.02 Favored Glycine 0 C--N 1.3 -1.422 0 N-CA-C 118.109 2.004 . . . . 0.0 118.109 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -149.75 153.92 37.66 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 119.846 1.823 . . . . 0.0 107.078 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.88 124.76 24.58 Favored 'General case' 0 C--O 1.258 1.508 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.104 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -66.71 147.67 52.95 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 112.495 -2.139 . . . . 0.0 113.688 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -104.26 140.89 37.21 Favored 'General case' 0 CA--C 1.578 2.041 0 O-C-N 124.428 1.08 . . . . 0.0 111.764 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.63 -50.52 24.2 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.56 -6.46 81.07 Favored Glycine 0 C--O 1.203 -1.805 0 CA-C-O 117.981 -1.455 . . . . 0.0 115.406 -170.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -92.33 166.26 12.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 123.359 1.552 . . . . 0.0 109.909 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -99.95 164.15 12.13 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.164 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.16 -30.38 71.54 Favored 'General case' 0 C--O 1.28 2.697 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.787 162.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -61.66 -39.94 93.14 Favored 'General case' 0 C--N 1.379 1.865 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 166.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.18 -33.37 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.325 1.05 . . . . 0.0 113.763 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -95.6 -5.31 42.81 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.43 64.95 0.78 Allowed 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 125.023 1.329 . . . . 0.0 110.761 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.2 mm -100.23 110.47 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 CA-C-O 125.921 2.772 . . . . 0.0 108.782 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -76.4 167.92 20.99 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 110.046 -3.252 . . . . 0.0 116.548 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -69.57 116.81 10.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.806 -166.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 82.8 29.56 0.1 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.692 2.187 . . . . 0.0 108.656 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 t -77.2 153.88 33.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 118.954 -2.341 . . . . 0.0 116.499 169.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.1 m -102.04 121.16 41.65 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 118.614 -2.554 . . . . 0.0 112.516 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.89 141.25 31.1 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 125.286 2.47 . . . . 0.0 111.498 161.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -89.67 137.67 32.13 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 119.96 -1.712 . . . . 0.0 109.117 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.9 tp -120.36 128.49 53.29 Favored 'General case' 0 C--O 1.264 1.829 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 C--O 1.202 -1.406 0 N-CA-C 102.017 -3.327 . . . . 0.0 102.017 -176.32 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 CA--C 1.555 1.171 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -106.73 124.09 49.1 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.82 152.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -105.29 138.74 41.02 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-O 123.313 1.53 . . . . 0.0 109.1 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.17 120.71 65.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 O-C-N 120.468 -1.395 . . . . 0.0 107.919 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -97.32 111.18 23.54 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.08 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -67.23 162.75 21.91 Favored 'General case' 0 C--N 1.411 3.278 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.98 -38.53 91.28 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 117.303 2.335 . . . . 0.0 117.303 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p -79.01 -15.02 58.83 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 168.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.68 27.99 2.2 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 118.959 2.343 . . . . 0.0 118.959 157.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -92.52 159.18 15.63 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 m -104.64 130.11 52.69 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 pt -116.96 145.44 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 CA-C-O 122.474 1.13 . . . . 0.0 110.299 161.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -110.85 122.86 48.91 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.902 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 mt -117.22 133.17 56.31 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 109.354 -174.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.79 113.37 22.56 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.532 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -128.56 172.53 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.686 1.195 . . . . 0.0 112.839 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.26 158.26 41.67 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -58.76 -32.87 97.9 Favored 'Trans proline' 0 N--CA 1.518 2.961 0 C-N-CA 120.96 1.107 . . . . 0.0 114.632 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -81.42 0.53 37.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 127.042 2.714 . . . . 0.0 115.902 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -74.09 131.15 41.04 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 125.016 2.341 . . . . 0.0 111.495 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.1 p -75.86 155.21 35.52 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.805 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.91 -35.69 52.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.229 0 CA-C-N 110.337 -3.12 . . . . 0.0 111.493 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.45 -45.17 55.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 127.446 2.966 . . . . 0.0 112.873 165.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.69 -30.99 24.35 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 118.298 -2.751 . . . . 0.0 109.565 -172.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.76 -34.41 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.975 0 CA-C-N 119.724 1.147 . . . . 0.0 111.988 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -66.67 -34.89 78.87 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.502 -0.749 . . . . 0.0 111.331 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.29 96.87 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.605 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -60.6 -38.28 84.16 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 167.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.91 -42.9 94.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-N 120.191 1.359 . . . . 0.0 111.406 166.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -57.36 -43.82 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 121.607 2.003 . . . . 0.0 111.3 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -53.5 -61.93 1.98 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -62.24 -50.84 70.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.118 1.767 . . . . 0.0 111.805 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -98.94 -12.36 20.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.097 2.999 . . . . 0.0 119.097 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.86 78.44 Favored Glycine 0 C--O 1.175 -3.542 0 O-C-N 118.795 -2.441 . . . . 0.0 115.027 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.56 118.91 60.04 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 119.038 -2.448 . . . . 0.0 110.225 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -46.92 135.75 17.59 Favored 'Trans proline' 1 N--CA 1.548 4.69 0 CA-C-N 123.593 2.319 . . . . 0.0 117.739 167.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -50.37 -36.79 49.04 Favored 'Trans proline' 0 C--O 1.208 -0.994 0 C-N-CA 122.27 1.98 . . . . 0.0 116.754 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.22 -39.01 13.18 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 129.227 4.079 . . . . 0.0 112.0 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -97.21 8.54 44.34 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 124.783 1.302 . . . . 0.0 111.837 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -106.01 138.73 41.69 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.967 1.307 . . . . 0.0 110.301 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 HH22 ' C ' ' A' ' 76' ' ' GLY . 17.1 ttm180 -125.11 137.11 54.18 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.602 1.561 . . . . 0.0 107.454 161.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -112.73 140.01 47.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.329 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.35 148.16 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.809 0 O-C-N 125.119 1.512 . . . . 0.0 113.097 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -141.28 130.27 23.22 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.594 1.557 . . . . 0.0 112.015 160.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.78 39.76 30.75 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.439 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.64 13.57 74.76 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 120.606 -1.309 . . . . 0.0 115.124 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -123.21 128.14 49.6 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 122.816 -0.226 . . . . 0.0 111.55 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -74.92 153.5 38.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 118.819 -1.153 . . . . 0.0 112.7 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.2 mt -108.85 126.93 53.58 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.933 0.873 . . . . 0.0 112.686 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.84 134.83 47.66 Favored 'General case' 0 C--N 1.378 1.806 0 C-N-CA 124.668 1.187 . . . . 0.0 113.012 170.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -58.28 -32.7 68.65 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.344 1.858 . . . . 0.0 113.919 -170.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.57 -10.67 81.33 Favored Glycine 0 C--O 1.194 -2.364 0 C-N-CA 124.487 1.042 . . . . 0.0 111.659 -172.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -89.27 141.84 28.18 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 119.882 -1.952 . . . . 0.0 110.561 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 65.9 p -82.16 172.63 12.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 124.207 1.956 . . . . 0.0 116.094 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.85 -28.58 66.22 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.707 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -91.35 -6.97 52.18 Favored 'General case' 0 N--CA 1.507 2.4 0 C-N-CA 125.346 1.458 . . . . 0.0 110.595 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -94.8 -13.39 25.65 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 167.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -101.69 6.58 41.95 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 115.728 -2.082 . . . . 0.0 110.896 160.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 53.39 48.32 22.17 Favored 'General case' 0 N--CA 1.415 -2.216 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mm -88.43 114.32 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.705 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . 0.264 16.3 mm100 -100.08 162.87 12.7 Favored 'General case' 0 C--O 1.194 -1.818 0 O-C-N 118.185 -2.822 . . . . 0.0 107.997 166.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 155.77 2.55 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -174.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.273 45.2 mt-10 78.26 1.97 2.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -79.8 137.72 37.05 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.9 m -93.97 111.29 22.98 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 126.844 2.59 . . . . 0.0 106.855 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.41 148.39 22.28 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 110.446 -3.07 . . . . 0.0 103.146 163.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.2 131.94 55.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.951 -1.718 . . . . 0.0 109.833 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -98.35 130.32 45.01 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.097 0.873 . . . . 0.0 112.745 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t -121.21 132.9 69.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.1 mt -94.21 140.06 30.24 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.51 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -103.41 135.65 44.62 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 125.638 1.836 . . . . 0.0 108.043 -169.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.4 tp -125.95 -36.16 2.4 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.039 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -92.44 169.48 10.52 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 126.604 2.44 . . . . 0.0 109.906 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.91 150.64 31.67 Favored Glycine 0 N--CA 1.477 1.432 0 C-N-CA 117.536 -2.269 . . . . 0.0 108.982 166.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.413 ' C ' HH22 ' A' ' 42' ' ' ARG . . . . . . . . 0 CA--C 1.543 1.812 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.219 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.59 139.69 51.4 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 124.205 1.955 . . . . 0.0 115.707 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -128.07 167.28 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.874 0 O-C-N 120.927 -1.108 . . . . 0.0 109.058 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -125.48 130.11 51.14 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.277 -0.889 . . . . 0.0 110.207 -165.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -117.94 128.43 75.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 0 C-N-CA 125.194 1.398 . . . . 0.0 109.434 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -92.06 124.09 35.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 126.688 2.493 . . . . 0.0 108.746 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -82.56 -169.36 2.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.613 -161.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -20.46 64.71 Favored 'General case' 0 C--O 1.26 1.629 0 O-C-N 118.511 -2.618 . . . . 0.0 111.123 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 m -94.37 -23.93 17.59 Favored 'General case' 0 CA--C 1.585 2.311 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.48 -5.11 19.38 Favored Glycine 1 N--CA 1.524 4.533 0 C-N-CA 130.442 3.877 . . . . 0.0 113.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -70.04 157.98 36.52 Favored 'General case' 0 C--N 1.388 2.279 0 C-N-CA 125.785 1.634 . . . . 0.0 107.417 -171.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -111.37 121.57 45.57 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 123.252 1.501 . . . . 0.0 109.585 -172.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -122.03 135.22 62.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -107.44 126.51 52.59 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 mt -118.31 134.63 54.87 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -100.78 131.24 46.76 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 115.762 -2.066 . . . . 0.0 105.511 -172.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 m -159.87 155.59 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 125.306 1.629 . . . . 0.0 110.365 -160.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.25 31.7 mt-10 -93.34 145.06 29.31 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 102.902 -2.999 . . . . 0.0 102.902 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -43.89 -27.17 1.56 Allowed 'Trans proline' 1 C--N 1.26 -4.089 0 N-CA-C 121.262 3.524 . . . . 0.0 121.262 158.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p -79.86 -14.8 58.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 126.85 2.594 . . . . 0.0 108.994 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -66.45 142.25 57.63 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-O 124.18 1.943 . . . . 0.0 111.263 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.9 p -86.63 155.92 20.23 Favored 'General case' 0 CA--C 1.474 -1.978 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.1 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.65 -31.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 125.332 1.645 . . . . 0.0 110.608 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.0 -38.66 76.55 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.057 -2.277 . . . . 0.0 114.394 165.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.28 -42.2 65.82 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 124.28 1.032 . . . . 0.0 110.852 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -58.65 -35.4 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 CA-C-N 120.158 1.344 . . . . 0.0 110.846 173.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -70.92 -32.57 69.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 119.413 -2.054 . . . . 0.0 116.35 170.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.68 95.28 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.521 1.763 . . . . 0.0 112.111 168.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -61.37 -42.36 98.59 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 116.276 -1.821 . . . . 0.0 115.099 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 tp -64.23 -36.44 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 167.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.23 -46.31 90.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 118.629 -2.544 . . . . 0.0 112.008 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -58.3 -48.3 80.94 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 125.099 1.5 . . . . 0.0 111.39 170.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -75.85 -34.74 60.07 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -134.97 4.69 3.27 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 119.19 -2.194 . . . . 0.0 113.001 -168.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 39.01 73.77 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-O 116.757 -2.135 . . . . 0.0 114.163 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.3 135.49 24.32 Favored Pre-proline 0 CA--C 1.598 2.793 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.586 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.22 110.9 0.61 Allowed 'Trans proline' 1 N--CA 1.542 4.367 0 C-N-CA 125.076 3.85 . . . . 0.0 108.462 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -72.11 -43.66 1.08 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 N-CA-C 116.429 1.665 . . . . 0.0 116.429 -161.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.23 -13.48 58.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 127.656 3.098 . . . . 0.0 112.975 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -79.1 -26.56 42.95 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 127.099 2.16 . . . . 0.0 114.069 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.93 154.29 18.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-O 124.47 2.081 . . . . 0.0 110.772 173.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -122.55 131.9 54.05 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-N 110.995 -2.821 . . . . 0.0 105.77 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 43' ' ' LEU . 16.6 mt -77.1 132.42 38.86 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 124.512 2.101 . . . . 0.0 113.856 169.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mm -109.1 137.23 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.991 -2.368 . . . . 0.0 106.718 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -132.41 134.03 44.63 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 123.281 1.515 . . . . 0.0 109.899 168.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.259 . . 50.03 35.01 8.98 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 118.304 -2.747 . . . . 0.0 115.46 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -12.5 58.97 Favored Glycine 0 C--N 1.361 1.939 0 C-N-CA 124.973 1.273 . . . . 0.0 110.641 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -130.03 135.14 47.93 Favored 'General case' 0 C--O 1.197 -1.667 0 CA-C-O 123.429 1.585 . . . . 0.0 112.784 -162.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.72 151.75 44.55 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 113.044 -1.889 . . . . 0.0 110.507 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -115.51 130.23 56.81 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 112.929 -1.942 . . . . 0.0 108.025 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.51 138.59 32.69 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.117 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -54.77 -46.38 74.39 Favored 'General case' 0 C--O 1.258 1.541 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -166.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.41 -10.18 86.41 Favored Glycine 0 CA--C 1.566 3.243 0 CA-C-N 119.212 0.914 . . . . 0.0 115.119 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -82.8 161.31 22.03 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 126.005 1.65 . . . . 0.0 111.797 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 p -103.19 168.74 8.98 Favored 'General case' 0 C--N 1.371 1.509 0 O-C-N 121.144 -0.973 . . . . 0.0 110.489 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.39 -31.9 72.43 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 119.509 -0.876 . . . . 0.0 112.646 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 t -74.78 -28.06 60.59 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 123.641 0.776 . . . . 0.0 112.369 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.94 -48.15 80.77 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.84 1.781 . . . . 0.0 110.133 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -82.45 -17.56 44.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 112.815 -1.993 . . . . 0.0 114.241 176.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 69.1 53.45 0.46 Allowed 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 125.51 1.524 . . . . 0.0 112.69 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -99.37 116.36 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 O-C-N 118.92 -2.362 . . . . 0.0 109.547 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -94.26 162.44 13.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.33 0.0 OUTLIER -42.97 150.24 0.17 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 178.564 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.294 40.1 mt-10 65.35 21.68 11.96 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 113.096 -1.866 . . . . 0.0 115.554 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -86.79 148.71 25.29 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.6 m -99.2 118.16 35.29 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 124.82 2.247 . . . . 0.0 115.233 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mp -108.62 147.07 32.4 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 119.458 -2.026 . . . . 0.0 107.985 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -108.67 134.74 51.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.2 134.89 35.32 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.969 0.89 . . . . 0.0 111.13 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.25 1.4 p -151.24 162.06 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 119.711 -1.868 . . . . 0.0 110.712 169.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.4 tp -72.05 137.76 47.39 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.503 -1.373 . . . . 0.0 111.827 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -67.04 157.87 32.43 Favored 'General case' 0 N--CA 1.509 2.5 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 48.0 mt -80.52 142.01 34.59 Favored 'General case' 0 N--CA 1.426 -1.641 0 O-C-N 121.23 -0.919 . . . . 0.0 111.623 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -138.08 156.33 47.89 Favored 'General case' 0 C--N 1.394 2.518 0 O-C-N 125.236 1.585 . . . . 0.0 112.321 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.58 -178.25 12.13 Favored Glycine 0 C--N 1.375 2.732 0 CA-C-O 115.805 -2.664 . . . . 0.0 114.64 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 2.191 0 O-C-N 129.85 3.912 . . . . 0.0 108.072 175.721 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 116.961 -1.495 . . . . 0.0 108.667 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -85.08 137.7 32.88 Favored 'General case' 0 C--O 1.181 -2.513 0 CA-C-N 119.753 1.16 . . . . 0.0 112.184 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 pt -138.4 161.05 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.496 0 O-C-N 125.961 2.038 . . . . 0.0 111.426 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.2 m-85 -127.87 128.09 44.56 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 114.371 -1.286 . . . . 0.0 107.692 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.65 129.49 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -87.72 100.37 12.78 Favored 'General case' 0 C--N 1.282 -2.352 0 O-C-N 125.582 1.802 . . . . 0.0 109.322 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 p -65.76 160.52 22.8 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.582 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.66 -45.36 63.35 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 125.951 2.032 . . . . 0.0 112.98 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -87.28 -8.0 57.23 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -163.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 26.0 4.54 Favored Glycine 0 C--N 1.363 2.037 0 CA-C-O 117.847 -1.529 . . . . 0.0 115.133 163.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -100.48 133.77 44.42 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 118.314 1.057 . . . . 0.0 110.105 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -84.74 106.67 16.46 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 123.777 0.673 . . . . 0.0 111.174 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 mm -101.75 120.1 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -171.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -82.7 135.04 35.12 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.006 -1.683 . . . . 0.0 108.997 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.12 164.32 31.01 Favored 'General case' 0 C--N 1.382 1.996 0 O-C-N 124.291 0.994 . . . . 0.0 112.092 170.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -121.45 124.83 45.41 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 123.708 1.718 . . . . 0.0 108.289 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.3 t -126.73 133.07 69.39 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 CA-C-N 112.837 -1.983 . . . . 0.0 109.167 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -59.76 123.98 74.11 Favored Pre-proline 0 N--CA 1.411 -2.382 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.885 164.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -73.95 0.98 7.61 Favored 'Trans proline' 0 CA--C 1.48 -2.184 0 N-CA-C 115.194 1.19 . . . . 0.0 115.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.32 -1.09 42.55 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 118.72 -1.192 . . . . 0.0 111.282 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -76.1 168.97 19.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.511 -1.368 . . . . 0.0 108.782 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.2 p -81.2 153.84 26.98 Favored 'General case' 0 CA--C 1.567 1.602 0 O-C-N 124.947 1.404 . . . . 0.0 110.353 171.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 mm -52.08 -32.12 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.966 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.85 -32.05 60.19 Favored 'General case' 0 N--CA 1.524 3.228 0 CA-C-O 124.11 1.91 . . . . 0.0 112.069 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -57.3 -40.71 78.42 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 118.723 -2.485 . . . . 0.0 115.655 173.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.53 -42.06 92.55 Favored 'Isoleucine or valine' 0 C--N 1.376 1.725 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -63.2 -38.57 91.7 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.03 82.6 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -64.74 -44.42 90.19 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 116.315 -1.802 . . . . 0.0 111.606 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.4 -35.13 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 CA-C-N 120.094 1.316 . . . . 0.0 111.848 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -60.45 -43.64 96.66 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 116.837 -1.554 . . . . 0.0 112.329 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -64.43 -53.03 54.73 Favored 'General case' 0 C--N 1.396 2.608 0 C-N-CA 125.651 1.58 . . . . 0.0 112.195 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -55.6 -48.66 74.51 Favored 'General case' 0 C--O 1.274 2.353 0 CA-C-O 125.143 2.402 . . . . 0.0 115.147 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -121.93 -8.15 8.89 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -165.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.76 18.2 79.14 Favored Glycine 0 N--CA 1.487 2.096 0 CA-C-N 120.634 1.561 . . . . 0.0 115.781 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mt -88.98 121.81 69.4 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 115.551 -2.166 . . . . 0.0 111.449 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.67 136.95 72.97 Favored 'Trans proline' 0 N--CA 1.507 2.291 0 C-N-CA 122.819 2.346 . . . . 0.0 111.822 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -80.42 -19.29 9.09 Favored 'Trans proline' 0 N--CA 1.517 2.888 0 CA-C-N 122.846 2.052 . . . . 0.0 115.783 -171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -68.22 -34.03 75.5 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 116.337 1.976 . . . . 0.0 116.337 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -79.63 -11.67 59.86 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.694 -1.594 . . . . 0.0 113.248 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -78.39 139.46 38.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 123.403 1.573 . . . . 0.0 111.682 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' HB2' HG22 ' A' ' 70' ' ' VAL . 23.0 mmt85 -124.12 121.79 36.09 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 169.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.5 mt -95.83 140.49 30.53 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 126.302 2.251 . . . . 0.0 108.007 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.73 129.21 68.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -134.77 137.19 43.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 101.573 -3.491 . . . . 0.0 101.573 162.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 33.73 68.03 0.18 Allowed 'General case' 0 C--N 1.366 1.284 0 N-CA-C 121.178 3.77 . . . . 0.0 121.178 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.89 -20.91 44.59 Favored Glycine 0 N--CA 1.484 1.843 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 161.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -128.97 138.83 52.19 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-N 118.766 1.283 . . . . 0.0 113.248 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -73.13 121.14 19.75 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.65 137.36 58.06 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 128.113 2.565 . . . . 0.0 107.214 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -99.23 137.96 36.99 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-O 123.061 1.41 . . . . 0.0 107.471 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -52.23 -44.34 64.77 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -166.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.63 87.49 Favored Glycine 0 N--CA 1.487 2.098 0 O-C-N 126.992 2.683 . . . . 0.0 118.137 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 mtt-85 -91.26 172.73 8.34 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 118.7 1.25 . . . . 0.0 108.638 -176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.6 p -97.25 160.37 14.37 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 118.452 0.569 . . . . 0.0 110.61 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mp -57.39 -34.77 69.22 Favored 'General case' 0 CA--C 1.564 1.507 0 O-C-N 125.901 2.001 . . . . 0.0 113.049 162.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.3 t -60.13 -33.82 72.67 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-O 115.089 -2.386 . . . . 0.0 113.655 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.24 -44.5 95.18 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.35 -3.72 55.97 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 126.441 2.338 . . . . 0.0 113.601 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 m120 62.62 47.1 5.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 118.788 0.722 . . . . 0.0 111.989 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -76.46 123.57 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -81.01 151.75 28.28 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.356 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -59.27 138.01 57.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 127.193 2.808 . . . . 0.0 111.548 167.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.291 30.3 mt-10 67.63 20.66 9.57 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.712 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.1 m -58.49 145.84 37.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.239 -1.538 . . . . 0.0 115.116 166.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 54.5 m -110.78 121.55 45.61 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 118.412 -0.804 . . . . 0.0 108.841 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.83 140.04 49.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.03 0.932 . . . . 0.0 109.237 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -92.47 148.29 22.22 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-O 124.297 1.999 . . . . 0.0 111.309 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 tp -108.88 111.25 22.86 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 112.215 -2.266 . . . . 0.0 114.79 171.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG22 ' HB2' ' A' ' 42' ' ' ARG . 8.5 m -113.01 151.15 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 168.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.6 mt -124.88 134.59 52.63 Favored 'General case' 0 C--O 1.193 -1.88 0 O-C-N 124.569 1.168 . . . . 0.0 111.502 -174.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -65.21 149.87 49.17 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 125.6 2.619 . . . . 0.0 110.451 157.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.36 151.25 38.23 Favored 'General case' 0 CA--C 1.58 2.115 0 CA-C-N 110.562 -3.017 . . . . 0.0 112.644 165.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -79.77 169.16 18.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.491 166.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 137.87 48.46 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-O 117.504 -1.72 . . . . 0.0 110.592 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.335 0 CA-C-O 116.441 -2.311 . . . . 0.0 109.288 179.08 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 N--CA 1.551 4.592 0 CA-C-O 122.682 1.23 . . . . 0.0 108.841 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.34 136.02 49.46 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 166.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.91 162.6 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.543 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -104.47 158.18 16.65 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.803 2.24 . . . . 0.0 109.491 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.1 t -130.07 127.9 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 25.1 tptp -119.71 126.84 52.05 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.125 1.44 . . . . 0.0 107.368 -170.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -113.18 158.07 20.9 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.478 1.132 . . . . 0.0 111.459 -165.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.23 -25.12 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.986 -1.071 . . . . 0.0 113.264 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -66.92 -18.01 65.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 169.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.57 38.43 3.46 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 116.206 1.242 . . . . 0.0 116.206 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -121.46 141.9 50.56 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -106.38 117.24 33.52 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 167.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.2 mm -106.91 134.1 49.56 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -98.98 125.11 44.36 Favored 'General case' 0 C--N 1.366 1.297 0 CA-C-O 123.722 1.725 . . . . 0.0 113.201 169.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -140.46 139.2 35.13 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 117.772 -3.08 . . . . 0.0 109.437 176.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.49 118.02 35.79 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 112.058 -2.337 . . . . 0.0 111.449 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.83 163.6 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 124.9 1.375 . . . . 0.0 109.736 -161.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -116.44 160.73 34.96 Favored Pre-proline 0 C--O 1.192 -1.923 0 CA-C-O 115.916 -1.993 . . . . 0.0 111.181 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -67.63 -19.42 48.03 Favored 'Trans proline' 2 N--CA 1.544 4.49 0 N-CA-C 116.1 1.538 . . . . 0.0 116.1 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.2 p -79.71 -22.06 43.84 Favored 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 116.128 -1.891 . . . . 0.0 110.791 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.69 140.21 47.94 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 121.191 1.814 . . . . 0.0 111.781 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 p -89.78 158.28 17.57 Favored 'General case' 0 C--N 1.379 1.884 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.48 -31.88 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 CA-C-N 112.968 -1.924 . . . . 0.0 110.127 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.21 -53.08 55.92 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 161.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -57.67 -45.05 86.08 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.1 -39.9 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 CA-C-N 119.199 0.909 . . . . 0.0 113.312 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.45 -42.06 95.39 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 169.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.67 84.52 Favored 'General case' 0 CA--C 1.576 1.951 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 175.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -63.35 -46.11 88.07 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 167.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.4 mm -69.39 -35.47 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.223 0 O-C-N 125.182 1.551 . . . . 0.0 111.012 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.51 -43.57 79.87 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.045 167.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -67.93 -45.95 72.85 Favored 'General case' 0 C--O 1.252 1.205 0 O-C-N 124.502 1.126 . . . . 0.0 113.49 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -66.13 -45.69 80.2 Favored 'General case' 0 C--O 1.257 1.464 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -119.74 -10.85 9.48 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.09 20.16 61.4 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 117.057 1.583 . . . . 0.0 117.057 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.457 HG22 HD21 ' A' ' 71' ' ' LEU . 18.3 mt -90.37 130.17 42.66 Favored Pre-proline 0 CA--C 1.577 1.987 0 CA-C-N 119.53 1.665 . . . . 0.0 107.073 -175.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -53.23 137.18 63.58 Favored 'Trans proline' 0 N--CA 1.528 3.553 0 C-N-CA 124.48 3.453 . . . . 0.0 111.077 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -87.07 15.2 2.23 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 CA-C-N 120.895 1.356 . . . . 0.0 110.429 -170.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -106.79 -23.61 12.34 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 125.823 1.649 . . . . 0.0 111.055 168.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -77.93 -37.24 48.14 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.86 -0.525 . . . . 0.0 109.822 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -48.55 133.01 17.06 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 118.548 2.795 . . . . 0.0 118.548 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -131.24 113.44 13.84 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 118.513 -2.617 . . . . 0.0 107.034 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -99.02 132.39 44.36 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-O 121.985 0.898 . . . . 0.0 111.572 -172.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mt -122.69 136.35 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.375 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -129.94 109.44 10.89 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.094 -2.321 . . . . 0.0 110.159 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.75 35.59 22.15 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.16 -8.59 30.71 Favored Glycine 0 C--N 1.376 2.78 0 N-CA-C 120.765 3.066 . . . . 0.0 120.765 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -78.03 124.91 28.59 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.333 1.453 . . . . 0.0 112.98 171.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -71.13 113.3 8.03 Favored 'General case' 0 C--O 1.26 1.639 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.06 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 59' ' ' TYR . 26.0 mt -79.67 116.45 19.87 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-O 122.204 1.002 . . . . 0.0 112.535 -172.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -71.96 135.11 46.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.294 -1.504 . . . . 0.0 114.739 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.84 -44.93 82.6 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 -167.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.21 12.75 42.89 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-N 120.513 1.506 . . . . 0.0 112.417 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -89.43 147.26 24.12 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.975 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -88.56 171.4 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 125.646 1.841 . . . . 0.0 111.379 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -79.76 -21.28 44.62 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 115.719 -2.086 . . . . 0.0 109.529 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -55.73 -48.03 75.9 Favored 'General case' 0 C--N 1.376 1.744 0 O-C-N 125.383 1.677 . . . . 0.0 112.411 164.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -56.84 -41.62 78.21 Favored 'General case' 0 N--CA 1.513 2.701 0 C-N-CA 126.939 2.096 . . . . 0.0 114.776 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CD1' HD22 ' A' ' 50' ' ' LEU . 59.7 m-85 -79.54 -12.35 59.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 167.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.259 23.3 t-20 54.78 58.85 4.48 Favored 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 125.522 1.764 . . . . 0.0 114.024 -173.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -95.89 119.17 43.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -74.87 160.76 30.24 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 124.863 1.352 . . . . 0.0 110.781 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 148.84 10.24 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 0.0 113.539 167.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.346 62.7 mt-10 68.88 3.43 3.98 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 122.052 2.206 . . . . 0.0 116.401 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -63.42 155.49 28.86 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 125.082 1.488 . . . . 0.0 114.539 163.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.6 m -123.78 113.41 18.53 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.021 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 78.1 mt -85.55 150.42 24.68 Favored 'General case' 0 N--CA 1.42 -1.931 0 O-C-N 121.284 -0.885 . . . . 0.0 108.636 171.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CE1' ' HB3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -104.15 149.3 25.37 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.384 -1.447 . . . . 0.0 107.782 172.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.69 128.52 46.82 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 124.839 1.337 . . . . 0.0 110.846 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.83 154.62 34.53 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 173.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 HG22 ' A' ' 36' ' ' ILE . 68.9 mt -108.17 159.47 16.58 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 118.308 -1.357 . . . . 0.0 109.661 -171.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -102.22 105.38 16.04 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 167.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.88 138.0 58.11 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 125.621 1.826 . . . . 0.0 114.117 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.285 71.6 mtt-85 -62.23 151.76 35.28 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 118.743 2.868 . . . . 0.0 118.743 -169.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 123.55 -2.92 9.48 Favored Glycine 0 CA--C 1.565 3.214 0 CA-C-N 114.006 -1.452 . . . . 0.0 113.576 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.447 0 N-CA-C 105.398 -3.081 . . . . 0.0 105.398 157.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.548 4.429 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -95.31 136.15 36.02 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.1 pt -126.78 158.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -124.74 136.14 53.61 Favored 'General case' 0 C--O 1.198 -1.626 0 CA-C-O 117.685 -1.15 . . . . 0.0 108.303 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.8 t -125.55 133.43 69.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -91.07 119.77 31.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.734 1.254 . . . . 0.0 112.11 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.4 p -101.02 176.25 5.33 Favored 'General case' 0 C--N 1.373 1.603 0 CA-C-N 113.92 -1.491 . . . . 0.0 111.883 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -50.68 -36.22 34.73 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 119.122 3.008 . . . . 0.0 119.122 -160.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.3 p -81.47 -8.33 59.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 116.202 -1.856 . . . . 0.0 115.365 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.3 41.97 Favored Glycine 0 N--CA 1.494 2.551 0 CA-C-N 121.496 1.953 . . . . 0.0 113.216 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -58.39 163.53 3.02 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-O 122.808 1.29 . . . . 0.0 113.988 168.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -109.21 129.04 55.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 119.024 -2.297 . . . . 0.0 110.147 171.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.7 mm -101.25 127.25 54.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-O 122.593 1.187 . . . . 0.0 112.111 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -95.59 135.32 37.41 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 120.214 -1.553 . . . . 0.0 111.191 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.7 mt -131.43 126.27 34.66 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.101 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -85.68 118.66 25.32 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.21 -2.181 . . . . 0.0 112.871 169.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.2 m -137.8 165.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.773 0 CA-C-N 111.459 -2.61 . . . . 0.0 113.128 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.03 156.67 44.97 Favored Pre-proline 0 N--CA 1.494 1.755 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.54 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -66.28 -15.04 46.82 Favored 'Trans proline' 0 N--CA 1.507 2.272 0 CA-C-N 121.501 1.572 . . . . 0.0 113.27 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -99.1 10.78 40.76 Favored 'General case' 0 N--CA 1.409 -2.475 0 O-C-N 126.589 2.431 . . . . 0.0 113.292 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -90.1 117.98 29.29 Favored 'General case' 0 C--N 1.376 1.726 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.8 p -63.74 151.24 42.61 Favored 'General case' 0 C--O 1.191 -1.989 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.73 -23.21 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 CA-C-O 123.162 1.458 . . . . 0.0 113.638 173.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.83 -43.73 73.27 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 119.185 -2.197 . . . . 0.0 116.645 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -71.03 -35.67 72.07 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-O 116.164 -1.874 . . . . 0.0 110.823 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.0 t -58.09 -46.46 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 125.101 1.501 . . . . 0.0 109.737 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -66.09 -42.78 88.85 Favored 'General case' 1 N--CA 1.551 4.609 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 169.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.34 47.1 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.283 -0.885 . . . . 0.0 111.238 166.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -65.1 -42.44 94.02 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.78 -26.47 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 CA-C-N 119.727 1.149 . . . . 0.0 111.665 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.52 82.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.858 -1.151 . . . . 0.0 112.363 169.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -64.06 -52.73 57.99 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 118.619 -1.233 . . . . 0.0 113.93 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -66.87 -49.19 66.45 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -172.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -117.35 -21.53 8.66 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 120.848 1.658 . . . . 0.0 108.183 -167.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.28 3.04 31.31 Favored Glycine 0 C--N 1.377 2.85 0 O-C-N 119.664 -1.898 . . . . 0.0 114.349 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mm -68.98 127.44 93.11 Favored Pre-proline 0 CA--C 1.552 1.029 0 CA-C-O 116.719 -1.61 . . . . 0.0 112.515 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -52.39 138.61 56.24 Favored 'Trans proline' 0 CA--C 1.571 2.351 0 CA-C-N 120.539 1.228 . . . . 0.0 114.31 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.427 35.4 Cg_exo -49.1 -42.63 38.68 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-O 113.078 -2.967 . . . . 0.0 117.75 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -79.42 -15.66 57.46 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.375 1.898 . . . . 0.0 112.738 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -91.28 18.21 7.35 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.272 0.942 . . . . 0.0 113.184 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -99.47 121.24 40.87 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 120.469 -1.395 . . . . 0.0 110.453 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -125.2 116.03 21.36 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.47 125.16 51.57 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -165.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.58 145.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 109.972 -176.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.99 114.24 9.57 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 162.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.57 58.51 3.82 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -1.94 64.24 Favored Glycine 0 N--CA 1.493 2.469 0 CA-C-N 114.468 -1.242 . . . . 0.0 113.906 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -106.83 110.53 22.71 Favored 'General case' 0 C--N 1.383 2.041 0 CA-C-N 118.717 1.258 . . . . 0.0 109.057 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -63.21 122.35 15.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 166.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.4 mt -91.79 123.13 34.94 Favored 'General case' 0 N--CA 1.518 2.97 0 O-C-N 124.371 1.045 . . . . 0.0 109.712 -168.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.255 17.4 mt-10 -92.25 142.61 27.29 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -167.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.64 -40.15 74.92 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -161.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 -7.04 88.5 Favored Glycine 0 N--CA 1.482 1.76 0 O-C-N 119.63 -1.918 . . . . 0.0 113.994 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -80.33 152.72 28.81 Favored 'General case' 0 CA--C 1.563 1.443 0 O-C-N 125.201 1.177 . . . . 0.0 113.839 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -93.66 173.7 7.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 123.718 1.723 . . . . 0.0 115.2 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -72.79 -24.5 60.93 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.979 -1.7 . . . . 0.0 112.126 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -80.02 -16.13 55.77 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.602 172.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.05 -21.99 60.69 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 120.549 1.522 . . . . 0.0 111.211 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -111.79 16.17 20.58 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 117.019 -1.467 . . . . 0.0 108.133 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m120 43.34 48.31 5.86 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 126.048 1.739 . . . . 0.0 114.238 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.259 19.3 mt -78.82 126.51 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 O-C-N 119.763 -1.835 . . . . 0.0 110.161 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -88.62 166.86 13.83 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 119.291 -2.13 . . . . 0.0 111.323 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -53.73 145.52 15.5 Favored 'General case' 0 N--CA 1.523 3.196 0 O-C-N 119.539 -1.976 . . . . 0.0 115.306 170.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 66.4 11.61 8.12 Favored 'General case' 0 C--N 1.389 2.283 0 CA-C-O 117.277 -1.344 . . . . 0.0 113.686 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -71.27 162.46 29.4 Favored 'General case' 0 N--CA 1.539 3.986 0 C-N-CA 127.568 2.347 . . . . 0.0 107.494 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -119.06 126.86 52.68 Favored 'General case' 0 C--O 1.196 -1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 111.317 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 mp -100.86 159.93 14.79 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 113.057 -1.883 . . . . 0.0 109.217 173.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -123.58 126.43 46.64 Favored 'General case' 0 C--N 1.385 2.152 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.11 138.19 31.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 121.195 0.521 . . . . 0.0 110.42 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.29 153.9 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 156.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.5 tp -84.65 139.19 32.22 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -87.45 121.11 29.46 Favored 'General case' 0 C--N 1.378 1.81 0 O-C-N 126.01 2.069 . . . . 0.0 109.484 161.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.8 mt -89.46 150.44 22.49 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 112.46 -2.155 . . . . 0.0 110.005 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -82.2 163.33 21.97 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -170.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.6 22.65 76.72 Favored Glycine 0 N--CA 1.426 -1.984 0 CA-C-O 116.15 -2.472 . . . . 0.0 114.201 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 CA--C 1.598 5.245 0 CA-C-O 124.438 2.132 . . . . 0.0 116.571 169.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.641 0 CA-C-O 117.709 -1.138 . . . . 0.0 113.992 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -101.71 136.82 40.91 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-O 116.81 -1.567 . . . . 0.0 108.778 -170.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.88 171.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 120.65 -1.281 . . . . 0.0 109.818 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.48 118.75 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 CA-C-O 123.602 1.668 . . . . 0.0 110.438 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -110.84 119.58 39.55 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 111.385 -2.643 . . . . 0.0 113.518 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.0 p -76.99 166.97 22.61 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.6 17.12 4.86 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.928 0.871 . . . . 0.0 112.099 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -125.41 22.56 7.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 112.317 -2.22 . . . . 0.0 111.738 170.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.83 77.43 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 119.117 2.407 . . . . 0.0 119.117 164.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -107.55 116.74 32.48 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.909 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -98.79 120.0 38.49 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 127.679 3.112 . . . . 0.0 107.419 170.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.79 141.32 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.08 0 CA-C-N 111.828 -2.442 . . . . 0.0 110.393 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -94.88 126.58 40.31 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 125.653 1.846 . . . . 0.0 112.261 164.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.45 141.48 52.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -171.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -103.24 112.18 24.93 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.16 151.36 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -97.09 145.73 30.11 Favored Pre-proline 0 C--O 1.199 -1.57 0 CA-C-O 112.898 -3.429 . . . . 0.0 105.689 165.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.47 -4.64 15.73 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 CA-C-N 124.364 2.594 . . . . 0.0 117.577 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -97.11 -5.06 38.23 Favored 'General case' 0 C--O 1.186 -2.28 0 CA-C-N 122.457 2.389 . . . . 0.0 109.818 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.1 141.68 58.68 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 127.101 3.334 . . . . 0.0 111.989 166.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.4 p -71.74 151.46 43.55 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 117.483 -3.261 . . . . 0.0 109.191 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.75 -32.69 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 123.828 3.013 . . . . 0.0 113.688 174.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.38 -33.36 75.55 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.813 2.551 . . . . 0.0 117.585 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.49 -42.86 75.0 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 126.093 2.121 . . . . 0.0 110.184 159.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.296 56.5 t -63.51 -39.95 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 124.323 3.238 . . . . 0.0 115.089 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 30.1 mtmt -57.91 -37.33 73.84 Favored 'General case' 0 CA--C 1.585 2.32 0 CA-C-O 122.789 1.28 . . . . 0.0 111.215 168.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.55 87.14 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -67.12 -36.74 82.56 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 165.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.9 mt -61.38 -35.65 67.88 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 O-C-N 124.668 1.23 . . . . 0.0 113.528 171.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.25 -38.61 80.49 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 174.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.55 -21.55 66.41 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 171.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -100.32 -47.28 4.98 Favored 'General case' 0 N--CA 1.518 2.968 0 O-C-N 120.897 -1.127 . . . . 0.0 110.648 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -116.9 -8.02 11.35 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 115.313 -2.28 . . . . 0.0 110.668 -170.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.32 19.69 73.76 Favored Glycine 0 C--N 1.376 2.762 0 N-CA-C 120.861 3.104 . . . . 0.0 120.861 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mm -108.57 130.07 23.21 Favored Pre-proline 0 C--O 1.202 -1.413 0 CA-C-O 116.373 -1.775 . . . . 0.0 111.596 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -54.4 142.37 69.79 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.438 2.092 . . . . 0.0 111.304 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -45.2 4.95 Favored 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 126.904 5.069 . . . . 0.0 115.83 169.415 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -65.63 -14.36 61.02 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -101.67 0.08 35.51 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -108.04 144.48 35.32 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -146.99 131.23 17.44 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.167 169.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.22 148.29 24.43 Favored 'General case' 0 N--CA 1.419 -2.013 0 C-N-CA 125.63 1.572 . . . . 0.0 111.43 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -125.0 131.12 72.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.311 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -139.27 133.61 31.5 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.286 . . 42.62 44.71 3.76 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.17 25.98 67.4 Favored Glycine 0 N--CA 1.472 1.035 0 O-C-N 125.553 1.783 . . . . 0.0 113.043 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.361 23.0 pttm -156.83 155.57 31.73 Favored 'General case' 0 N--CA 1.534 3.729 0 O-C-N 119.571 -2.135 . . . . 0.0 110.794 168.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -46.45 137.73 6.33 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 128.342 2.657 . . . . 0.0 115.864 171.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.7 mt -85.79 124.96 32.88 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 167.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.81 103.03 4.21 Favored 'General case' 0 C--N 1.397 2.656 0 O-C-N 120.328 -1.482 . . . . 0.0 111.056 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 90.0 m-20 -15.05 -65.47 0.01 OUTLIER 'General case' 0 C--O 1.256 1.424 0 C-N-CA 127.984 2.514 . . . . 0.0 116.627 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.65 -23.12 70.4 Favored Glycine 0 CA--C 1.546 1.972 0 N-CA-C 117.851 1.9 . . . . 0.0 117.851 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -68.8 163.14 24.83 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.85 -1.97 . . . . 0.0 113.531 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.6 p -96.23 159.15 15.1 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.07 1.891 . . . . 0.0 115.462 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.45 -34.87 73.06 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 119.715 -1.866 . . . . 0.0 111.643 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.7 t -61.25 -40.51 94.32 Favored 'General case' 0 N--CA 1.51 2.557 0 C-N-CA 126.699 1.999 . . . . 0.0 106.215 167.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -64.04 -36.05 82.71 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 121.434 1.924 . . . . 0.0 113.416 -175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.95 5.91 50.18 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 40.45 53.54 2.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 -166.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.1 mt -84.55 109.92 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.275 1.43 . . . . 0.0 111.932 -175.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -94.28 166.66 11.99 Favored 'General case' 0 C--N 1.379 1.877 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -168.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -44.01 131.36 5.81 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 173.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 68.87 21.29 7.66 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.493 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.5 m -71.6 137.34 47.9 Favored 'General case' 0 C--N 1.38 1.901 0 O-C-N 120.561 -1.337 . . . . 0.0 110.431 161.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.0 m -101.92 112.57 25.24 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 -176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.99 123.67 48.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.64 1.213 . . . . 0.0 110.181 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -71.85 136.38 46.96 Favored 'General case' 0 C--N 1.362 1.15 0 O-C-N 120.036 -1.665 . . . . 0.0 107.734 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -112.37 127.2 55.94 Favored 'General case' 0 N--CA 1.518 2.927 0 O-C-N 127.219 2.824 . . . . 0.0 107.024 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.6 t -118.41 127.94 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.967 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.2 mt -87.31 141.18 28.83 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-N 112.215 -2.266 . . . . 0.0 109.599 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -90.99 100.18 13.09 Favored 'General case' 0 C--N 1.383 2.039 0 C-N-CA 125.558 1.543 . . . . 0.0 110.997 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.99 -11.13 15.38 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 170.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -129.81 164.26 24.46 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 122.495 1.141 . . . . 0.0 113.284 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.35 139.59 8.7 Favored Glycine 0 N--CA 1.489 2.211 0 CA-C-N 113.459 -1.701 . . . . 0.0 117.032 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 3.058 0 CA-C-O 116.488 -2.285 . . . . 0.0 115.008 174.819 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 121.843 0.83 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -89.74 149.89 22.54 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 172.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.293 2.2 pp -141.23 154.07 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.076 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.788 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -111.25 136.72 49.92 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.512 -1.367 . . . . 0.0 111.57 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.43 134.56 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -97.97 114.65 26.83 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 112.503 -2.135 . . . . 0.0 107.92 170.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.8 p -75.07 163.81 27.19 Favored 'General case' 0 CA--C 1.589 2.465 0 O-C-N 117.061 -3.524 . . . . 0.0 114.617 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.86 -30.3 68.88 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 124.907 1.283 . . . . 0.0 113.319 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 m -68.72 -32.53 72.39 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-O 118.348 -0.834 . . . . 0.0 112.058 173.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.3 30.01 4.59 Favored Glycine 0 CA--C 1.543 1.825 0 O-C-N 125.728 1.893 . . . . 0.0 113.454 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -96.09 143.38 27.28 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-O 121.363 0.601 . . . . 0.0 109.384 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -102.19 121.61 42.58 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 121.195 -0.941 . . . . 0.0 108.506 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.7 mm -101.39 139.14 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -107.9 128.97 55.09 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mp -129.14 132.62 47.37 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.594 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -89.15 116.15 27.2 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-O 123.988 1.851 . . . . 0.0 112.535 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -143.28 162.82 16.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.742 0 CA-C-O 122.691 1.234 . . . . 0.0 109.702 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -95.76 156.13 37.68 Favored Pre-proline 0 C--O 1.205 -1.247 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.345 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.307 41.0 Cg_endo -60.64 -13.96 28.72 Favored 'Trans proline' 0 C--N 1.291 -2.463 0 CA-C-O 116.98 -1.342 . . . . 0.0 115.125 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -102.64 -0.26 32.15 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 122.981 2.628 . . . . 0.0 106.562 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -73.46 147.28 44.3 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 121.808 2.094 . . . . 0.0 109.85 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -88.28 165.66 14.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 120.212 1.369 . . . . 0.0 112.988 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -60.22 -38.38 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.813 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.36 -50.12 63.01 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.231 -0.918 . . . . 0.0 111.56 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -64.53 -34.41 78.17 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 119.938 -1.727 . . . . 0.0 113.384 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.6 t -57.4 -51.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.746 0 CA-C-O 121.854 0.835 . . . . 0.0 109.571 170.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.46 -32.23 66.74 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 117.753 -3.092 . . . . 0.0 116.296 168.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.82 95.78 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.174 -1.811 . . . . 0.0 114.725 166.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -58.83 -43.5 90.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 118.923 0.783 . . . . 0.0 111.66 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mm -61.98 -36.83 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.038 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -63.4 -48.81 76.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 125.384 1.677 . . . . 0.0 111.836 174.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -61.87 -43.65 98.41 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -88.49 -32.14 18.38 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 116.499 -1.715 . . . . 0.0 111.247 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -113.31 -4.93 13.61 Favored 'General case' 0 C--N 1.374 1.659 0 CA-C-O 115.073 -2.394 . . . . 0.0 115.059 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.23 58.15 13.83 Favored Glycine 0 C--O 1.192 -2.524 0 O-C-N 125.776 1.922 . . . . 0.0 110.786 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.8 mt -128.45 112.78 19.49 Favored Pre-proline 0 CA--C 1.587 2.393 0 CA-C-N 118.236 1.018 . . . . 0.0 110.12 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -35.01 117.59 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.679 0 C-N-CA 124.272 3.315 . . . . 0.0 116.307 174.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -65.87 -27.99 50.98 Favored 'Trans proline' 0 CA--C 1.493 -1.537 0 O-C-N 122.804 0.897 . . . . 0.0 111.22 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.33 -23.14 57.23 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.899 -1.125 . . . . 0.0 111.048 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -91.21 -13.41 32.89 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -69.0 125.73 27.57 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.751 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -112.34 113.08 25.11 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 125.042 1.464 . . . . 0.0 111.835 162.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 mt -92.79 130.17 38.49 Favored 'General case' 0 C--O 1.25 1.111 0 CA-C-O 122.737 1.256 . . . . 0.0 109.332 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -118.55 128.89 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.176 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -133.26 114.69 14.07 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.4 29.27 8.54 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -168.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.34 8.18 81.6 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-O 117.762 -1.577 . . . . 0.0 115.566 176.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -121.22 128.57 52.55 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.32 -3.585 . . . . 0.0 101.32 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.69 146.35 54.9 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.364 1.665 . . . . 0.0 111.365 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -112.41 149.12 32.98 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 125.065 1.478 . . . . 0.0 112.071 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -92.24 145.14 24.72 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 123.951 1.834 . . . . 0.0 115.583 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.91 -35.58 75.18 Favored 'General case' 0 C--N 1.372 1.575 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.36 -15.99 79.0 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.253 1.6 mpp_? -86.23 165.16 16.71 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.2 p -110.77 167.82 9.94 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.006 -1.906 . . . . 0.0 109.89 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.16 -35.61 79.34 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 111.796 -2.456 . . . . 0.0 111.627 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 m -72.29 -26.93 62.16 Favored 'General case' 0 C--N 1.367 1.369 0 CA-C-O 114.406 -2.711 . . . . 0.0 110.241 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.17 -17.93 65.03 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-N 123.211 2.732 . . . . 0.0 112.636 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -112.11 11.91 20.46 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 116.728 -1.606 . . . . 0.0 113.28 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.6 m120 53.32 59.44 4.39 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 127.551 3.032 . . . . 0.0 114.134 -169.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -92.3 118.49 37.96 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.445 0 O-C-N 120.135 -1.603 . . . . 0.0 110.838 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -83.96 170.92 13.49 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 125.227 1.579 . . . . 0.0 112.135 171.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.712 3.149 . . . . 0.0 111.408 170.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 44.8 mt-10 81.77 14.75 0.53 Allowed 'General case' 0 C--O 1.259 1.597 0 C-N-CA 130.538 3.535 . . . . 0.0 108.587 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -68.07 142.53 55.81 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 117.554 -1.658 . . . . 0.0 111.065 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 m -98.28 117.8 33.49 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 113.58 -1.645 . . . . 0.0 114.889 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.67 166.35 11.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -129.75 144.75 51.45 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 124.843 1.257 . . . . 0.0 109.485 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.2 tp -123.34 134.83 53.98 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.776 1.751 . . . . 0.0 108.901 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.09 114.52 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.587 0 N-CA-C 101.754 -3.425 . . . . 0.0 101.754 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 tp -93.23 132.2 37.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 125.307 1.629 . . . . 0.0 106.615 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -101.76 154.77 18.6 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-O 123.823 1.773 . . . . 0.0 113.575 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.43 141.95 37.92 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-O 125.183 2.42 . . . . 0.0 114.194 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -66.48 128.06 34.74 Favored 'General case' 0 N--CA 1.529 3.484 0 O-C-N 119.214 -2.179 . . . . 0.0 111.949 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.67 -132.32 3.27 Favored Glycine 0 C--O 1.197 -2.183 0 O-C-N 120.141 -1.599 . . . . 0.0 111.877 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.409 0 CA-C-O 114.672 -3.293 . . . . 0.0 112.796 -175.573 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.198 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -93.93 137.23 33.38 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.742 0.782 . . . . 0.0 109.095 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.66 162.26 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 122.61 1.195 . . . . 0.0 108.105 166.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -107.63 145.09 33.78 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.381 -1.449 . . . . 0.0 110.083 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -123.23 112.7 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.894 0 O-C-N 120.828 -1.17 . . . . 0.0 109.686 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.94 124.94 34.71 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -80.21 166.68 21.18 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.93 -35.5 78.53 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 115.598 -2.144 . . . . 0.0 112.793 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -67.95 -32.01 72.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.101 2.16 . . . . 0.0 112.339 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.56 8.81 6.17 Favored Glycine 0 CA--C 1.502 -0.738 0 O-C-N 121.06 -1.025 . . . . 0.0 113.07 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -82.88 164.15 20.68 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.7 m -115.78 131.13 57.03 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mm -111.38 132.42 59.97 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-N 121.782 2.083 . . . . 0.0 108.717 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -100.55 134.85 42.9 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -150.8 157.58 43.11 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -93.57 134.06 36.24 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.156 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 164.91 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 CA-C-N 120.367 1.439 . . . . 0.0 111.136 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.63 166.98 12.19 Favored Pre-proline 0 CA--C 1.568 1.671 0 O-C-N 125.925 2.016 . . . . 0.0 106.969 171.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -67.38 -31.12 35.46 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 117.719 -1.054 . . . . 0.0 110.36 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 p -85.92 -0.7 56.1 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -73.06 148.95 43.57 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-O 125.079 2.371 . . . . 0.0 111.28 165.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 p -100.11 165.8 11.33 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 112.657 -2.065 . . . . 0.0 109.815 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.01 -32.7 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.224 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -50.35 -39.55 46.57 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 115.038 -2.41 . . . . 0.0 114.146 162.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -69.71 -32.04 70.41 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 123.71 2.959 . . . . 0.0 111.251 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.79 -46.25 94.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.68 -43.39 89.92 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.42 86.3 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.082 0.855 . . . . 0.0 113.01 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -64.08 -37.37 87.19 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.12 -36.55 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 119.578 -1.951 . . . . 0.0 111.67 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -46.96 -54.99 8.89 Favored 'General case' 0 C--N 1.394 2.513 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 167.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.258 30.3 m-20 -58.08 -51.16 70.85 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -62.37 -44.06 97.35 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 126.57 1.948 . . . . 0.0 115.122 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -120.6 -5.89 9.73 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 121.488 1.949 . . . . 0.0 112.786 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.63 52.36 30.43 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-O 117.006 -1.997 . . . . 0.0 116.918 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.33 114.34 31.88 Favored Pre-proline 0 CA--C 1.562 1.421 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -59.9 141.08 95.87 Favored 'Trans proline' 0 N--CA 1.508 2.34 0 N-CA-C 117.092 1.92 . . . . 0.0 117.092 -168.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -70.73 -21.4 29.03 Favored 'Trans proline' 0 C--N 1.296 -2.213 0 N-CA-C 117.732 2.166 . . . . 0.0 117.732 -170.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -77.77 -17.36 57.6 Favored 'General case' 0 C--O 1.264 1.844 0 CA-C-N 120.285 1.402 . . . . 0.0 112.047 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.86 -18.58 37.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.554 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -89.62 149.53 22.78 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 123.002 1.382 . . . . 0.0 111.66 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -148.74 142.87 25.99 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 167.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.274 62.1 mt -112.43 154.3 26.04 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 125.521 2.582 . . . . 0.0 112.982 -174.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -139.72 139.53 37.82 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 109.85 -3.341 . . . . 0.0 104.766 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -132.41 115.48 15.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 119.715 -1.865 . . . . 0.0 107.433 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.307 . . 65.37 33.6 8.85 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 120.865 3.654 . . . . 0.0 120.865 162.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.03 -6.58 37.21 Favored Glycine 0 C--N 1.362 1.989 0 CA-C-O 117.929 -1.484 . . . . 0.0 114.946 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.47 146.32 30.51 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.936 2.868 . . . . 0.0 113.996 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.39 154.47 41.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 119.565 -1.96 . . . . 0.0 112.635 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -121.09 132.68 55.02 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.607 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -74.79 144.48 43.51 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.057 1.343 . . . . 0.0 110.255 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -58.71 -40.72 84.5 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 -18.58 77.95 Favored Glycine 0 C--N 1.359 1.809 0 N-CA-C 118.525 2.17 . . . . 0.0 118.525 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -70.08 152.23 44.6 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.654 1.582 . . . . 0.0 114.053 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -95.39 166.45 11.87 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.54 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.79 -28.69 70.04 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.631 2.157 . . . . 0.0 115.429 173.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -75.75 -31.33 59.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.086 -1.416 . . . . 0.0 113.663 173.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 116.222 -1.847 . . . . 0.0 114.641 165.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -67.26 -27.43 67.2 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.786 167.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.257 35.4 m120 67.7 49.98 0.92 Allowed 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.692 1.133 . . . . 0.0 110.867 -167.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -89.5 113.62 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.187 0 CA-C-O 125.112 2.387 . . . . 0.0 112.208 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -64.65 155.8 32.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 111.577 -2.556 . . . . 0.0 113.384 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.97 155.8 5.92 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 172.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 39.7 mt-10 59.97 32.0 20.92 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.3 m -108.78 140.48 42.15 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 119.592 -1.942 . . . . 0.0 110.981 -163.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 84.7 m -95.77 108.78 21.14 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.759 -1.213 . . . . 0.0 113.433 -168.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.3 167.3 12.4 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.185 1.794 . . . . 0.0 106.477 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -123.04 157.46 32.73 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.849 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.3 tp -118.78 139.89 50.84 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 112.51 -2.132 . . . . 0.0 106.908 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.44 157.55 30.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 161.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.6 mt -126.36 137.99 53.52 Favored 'General case' 0 CA--C 1.562 1.406 0 O-C-N 119.439 -2.038 . . . . 0.0 109.769 -163.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -94.31 110.78 22.51 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.381 1.05 . . . . 0.0 109.075 167.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.0 mt -69.67 151.49 45.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 125.572 1.795 . . . . 0.0 112.285 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -60.87 153.4 24.81 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 122.496 1.141 . . . . 0.0 112.489 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.27 3.93 56.48 Favored Glycine 0 C--N 1.383 3.14 0 O-C-N 117.288 -3.383 . . . . 0.0 116.749 167.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.086 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 178.241 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 117.245 -1.36 . . . . 0.0 112.697 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -74.01 138.59 44.2 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 121.132 1.787 . . . . 0.0 111.17 171.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.71 172.68 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 165.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -124.02 143.6 50.33 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.3 t -134.58 121.77 36.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 O-C-N 119.807 -1.808 . . . . 0.0 107.539 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -73.15 125.93 28.86 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 p -86.21 -170.09 2.94 Favored 'General case' 0 N--CA 1.517 2.883 0 O-C-N 121.467 -0.771 . . . . 0.0 112.1 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.75 23.61 12.9 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-N 120.326 1.421 . . . . 0.0 113.475 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -115.84 4.77 13.97 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.47 1.508 . . . . 0.0 111.344 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.11 23.94 18.42 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -116.44 143.35 45.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.015 1.726 . . . . 0.0 115.107 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -106.92 111.11 23.46 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 168.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.73 142.66 13.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.0 m -108.25 124.69 50.7 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 123.41 2.823 . . . . 0.0 107.155 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.24 144.74 47.6 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 115.896 -2.002 . . . . 0.0 111.633 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.16 124.37 40.14 Favored 'General case' 0 N--CA 1.42 -1.925 0 O-C-N 127.135 2.772 . . . . 0.0 108.039 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.17 164.53 27.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -96.3 158.43 33.93 Favored Pre-proline 0 CA--C 1.573 1.858 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 164.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -67.92 -27.92 36.32 Favored 'Trans proline' 0 C--N 1.288 -2.645 0 CA-C-O 116.299 -1.626 . . . . 0.0 113.618 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 p -85.28 16.55 3.56 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.647 2.021 . . . . 0.0 115.467 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.25 143.58 45.03 Favored 'General case' 0 CA--C 1.573 1.829 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 167.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.265 77.5 p -76.65 163.58 26.72 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 120.914 -1.117 . . . . 0.0 112.52 171.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.98 -40.09 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 O-C-N 124.326 1.016 . . . . 0.0 112.633 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -37.74 -45.88 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 160.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -70.03 -21.61 63.17 Favored 'General case' 0 CA--C 1.457 -2.599 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.47 -45.72 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 CA-C-N 118.025 0.375 . . . . 0.0 110.735 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -59.04 -37.77 77.75 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.58 76.34 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 124.392 1.077 . . . . 0.0 113.405 173.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -69.04 -39.42 79.2 Favored 'General case' 0 C--O 1.194 -1.866 0 C-N-CA 117.821 -1.552 . . . . 0.0 109.925 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.43 -38.25 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 119.331 -2.106 . . . . 0.0 116.676 170.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -56.53 -47.81 78.6 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 121.281 1.855 . . . . 0.0 112.857 164.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.05 -44.07 97.94 Favored 'General case' 0 CA--C 1.576 1.953 0 C-N-CA 117.678 -1.609 . . . . 0.0 111.798 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -81.35 -34.6 31.67 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-O 114.572 -2.632 . . . . 0.0 117.773 -171.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -127.18 -4.32 6.2 Favored 'General case' 0 N--CA 1.527 3.416 0 CA-C-N 122.449 2.386 . . . . 0.0 110.396 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.71 8.8 82.29 Favored Glycine 0 N--CA 1.483 1.775 0 C-N-CA 123.626 0.631 . . . . 0.0 114.272 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.1 mt -83.94 126.13 71.16 Favored Pre-proline 0 N--CA 1.41 -2.465 0 CA-C-O 123.357 1.551 . . . . 0.0 108.637 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.66 142.1 62.17 Favored 'Trans proline' 0 C--N 1.262 -3.978 0 O-C-N 116.534 -2.403 . . . . 0.0 117.965 174.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.97 -27.42 58.26 Favored 'Trans proline' 0 N--CA 1.526 3.43 0 C-N-CA 123.158 2.572 . . . . 0.0 111.391 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -85.13 -22.14 28.97 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -90.7 5.28 48.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 124.926 1.391 . . . . 0.0 111.407 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -133.34 158.32 43.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 118.841 -2.412 . . . . 0.0 108.628 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -132.4 146.64 52.1 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 127.145 2.778 . . . . 0.0 109.035 170.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 mt -109.04 137.39 47.02 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 118.535 -2.603 . . . . 0.0 110.427 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 22.5 mm -121.23 150.61 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 N-CA-C 103.854 -2.646 . . . . 0.0 103.854 -169.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -141.39 136.26 31.24 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 104.33 -2.47 . . . . 0.0 104.33 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.86 1.21 Allowed 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.152 -1.592 . . . . 0.0 114.704 173.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 -4.45 65.34 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-O 116.604 -2.22 . . . . 0.0 116.062 -167.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -115.61 146.92 41.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -165.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -109.78 130.44 55.52 Favored 'General case' 0 CA--C 1.5 -0.95 0 O-C-N 119.953 -1.717 . . . . 0.0 106.798 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -95.69 139.56 31.76 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 123.699 1.714 . . . . 0.0 113.792 -172.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -72.29 128.53 35.94 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.179 0.99 . . . . 0.0 113.179 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.75 -45.91 70.72 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 110.259 -3.155 . . . . 0.0 119.01 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -1.79 80.49 Favored Glycine 0 N--CA 1.483 1.784 0 CA-C-O 117.923 -1.487 . . . . 0.0 114.444 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -88.55 -179.92 6.15 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 118.402 1.101 . . . . 0.0 109.079 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.6 p -114.04 161.39 17.78 Favored 'General case' 0 CA--C 1.467 -2.246 0 C-N-CA 117.557 -1.657 . . . . 0.0 108.822 -171.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.56 -36.65 81.23 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 112.468 -2.151 . . . . 0.0 109.472 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -60.23 -43.12 96.3 Favored 'General case' 0 C--O 1.27 2.136 0 O-C-N 125.566 1.791 . . . . 0.0 109.317 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.82 -37.17 86.72 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 118.458 -2.651 . . . . 0.0 113.468 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -91.91 8.24 38.32 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 118.499 -2.626 . . . . 0.0 110.061 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 64.42 32.74 11.72 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 124.633 1.173 . . . . 0.0 110.604 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm -76.88 114.44 17.25 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 CA-C-O 124.019 1.866 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.58 161.61 13.58 Favored 'General case' 0 CA--C 1.557 1.231 0 O-C-N 118.571 -2.581 . . . . 0.0 110.164 -175.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -25.63 125.35 0.05 Allowed 'General case' 0 C--N 1.4 2.787 0 C-N-CA 126.845 2.058 . . . . 0.0 115.239 164.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.378 88.9 mt-10 72.97 21.85 3.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.932 2.093 . . . . 0.0 112.941 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.9 m -73.81 148.4 42.5 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-O 117.461 -1.257 . . . . 0.0 108.69 173.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.0 m -102.47 118.59 37.18 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 127.04 2.712 . . . . 0.0 106.959 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.8 mt -105.67 162.69 13.3 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -133.83 155.26 50.15 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tt -101.06 146.78 27.0 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 126.845 2.591 . . . . 0.0 108.172 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.88 144.83 34.53 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.623 0 CA-C-O 116.245 -1.836 . . . . 0.0 110.351 167.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 mt -113.59 122.48 47.33 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-O 123.842 1.782 . . . . 0.0 108.503 -173.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -155.36 157.49 37.2 Favored 'General case' 0 CA--C 1.567 1.609 0 CA-C-O 123.385 1.564 . . . . 0.0 110.572 -170.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.5 tp -52.9 146.45 10.79 Favored 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -171.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -50.78 161.67 0.33 Allowed 'General case' 0 C--N 1.383 2.029 0 CA-C-O 124.754 2.216 . . . . 0.0 115.251 164.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.35 -116.63 3.26 Favored Glycine 0 CA--C 1.547 2.067 0 CA-C-N 111.733 -2.485 . . . . 0.0 109.017 168.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 CA-C-O 113.699 -3.834 . . . . 0.0 111.287 169.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.728 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.482 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -101.55 138.0 39.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.699 0.681 . . . . 0.0 112.232 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -123.03 171.95 11.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 165.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.01 151.95 35.68 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.35 136.62 59.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 122.573 1.178 . . . . 0.0 109.006 165.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -94.3 125.57 39.03 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 114.111 -1.404 . . . . 0.0 110.709 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -92.66 169.57 10.4 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 119.784 1.175 . . . . 0.0 109.711 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.577 HD12 ' H ' ' A' ' 71' ' ' LEU . 63.0 mt -61.83 -39.95 93.59 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 125.193 1.397 . . . . 0.0 110.865 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -69.75 -8.66 49.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.053 -1.885 . . . . 0.0 112.977 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.14 27.21 37.78 Favored Glycine 0 CA--C 1.558 2.731 0 CA-C-O 117.68 -1.622 . . . . 0.0 115.988 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -97.24 132.78 42.66 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 119.13 1.465 . . . . 0.0 109.278 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -91.73 110.32 21.66 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.423 1.106 . . . . 0.0 108.146 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.8 pt -109.26 150.27 12.03 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.557 -173.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 m -120.27 121.88 39.65 Favored 'General case' 0 C--N 1.385 2.11 0 CA-C-O 122.504 1.145 . . . . 0.0 111.366 -167.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 mt -119.3 129.76 55.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.634 -2.075 . . . . 0.0 105.469 -163.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -108.72 127.46 54.01 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -153.93 165.06 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 124.202 1.001 . . . . 0.0 109.176 -161.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -113.79 152.57 45.69 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 102.462 -3.162 . . . . 0.0 102.462 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -81.61 -1.03 10.77 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 CA-C-N 120.689 1.282 . . . . 0.0 113.416 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -16.74 28.84 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.098 -1.001 . . . . 0.0 110.162 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -55.5 139.88 42.32 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.521 0.329 . . . . 0.0 111.498 174.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -77.8 162.44 26.9 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 121.383 -0.823 . . . . 0.0 111.528 173.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.98 -36.71 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.63 -36.09 71.36 Favored 'General case' 0 C--O 1.269 2.129 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 168.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -69.68 -33.25 72.29 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 119.854 1.207 . . . . 0.0 109.28 170.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.287 39.5 t -62.33 -42.68 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 113.382 -1.735 . . . . 0.0 109.698 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -65.78 -29.26 69.73 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 112.798 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.9 79.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.466 1.104 . . . . 0.0 112.318 171.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -63.25 -33.07 74.71 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 119.23 -2.169 . . . . 0.0 112.565 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.92 -35.6 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.886 -0.509 . . . . 0.0 111.145 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -44.2 96.53 Favored 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 117.077 -1.439 . . . . 0.0 111.693 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -56.31 -49.69 73.57 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.424 1.465 . . . . 0.0 109.659 169.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -83.75 -38.24 21.62 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.75 10.16 8.96 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.86 68.91 Favored Glycine 0 N--CA 1.467 0.741 0 CA-C-N 114.172 -1.376 . . . . 0.0 114.462 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.1 mt -91.63 129.56 42.19 Favored Pre-proline 0 C--O 1.164 -3.407 0 CA-C-N 119.51 1.655 . . . . 0.0 109.856 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -51.08 122.29 9.73 Favored 'Trans proline' 0 N--CA 1.527 3.456 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 166.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -63.7 -35.13 59.68 Favored 'Trans proline' 1 N--CA 1.537 4.076 0 N-CA-C 117.784 2.186 . . . . 0.0 117.784 -172.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.43 -40.47 1.77 Allowed 'General case' 0 C--O 1.266 1.928 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 162.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -76.31 -14.03 60.12 Favored 'General case' 0 CA--C 1.576 1.972 0 O-C-N 117.595 -3.191 . . . . 0.0 113.266 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -85.12 123.41 30.61 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.188 1.947 . . . . 0.0 113.592 -158.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -118.29 107.86 14.41 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 118.107 -2.87 . . . . 0.0 105.936 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -95.34 119.94 34.71 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.1 mm -111.65 124.29 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.544 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -124.87 135.18 52.66 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 102.737 -3.061 . . . . 0.0 102.737 175.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.18 29.94 19.44 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 170.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.29 7.59 82.63 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 115.907 1.123 . . . . 0.0 115.907 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -148.55 140.72 24.05 Favored 'General case' 0 CA--C 1.567 1.632 0 CA-C-O 126.247 2.927 . . . . 0.0 112.934 -172.666 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.66 151.33 47.58 Favored 'General case' 0 CA--C 1.566 1.593 0 O-C-N 117.051 -3.531 . . . . 0.0 110.084 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.99 141.58 30.77 Favored 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.36 123.17 20.49 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.921 0.867 . . . . 0.0 109.753 168.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.36 -44.86 95.19 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -164.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.48 -7.65 53.7 Favored Glycine 0 N--CA 1.487 2.099 0 C-N-CA 126.691 2.091 . . . . 0.0 116.376 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -90.41 172.86 8.44 Favored 'General case' 0 N--CA 1.414 -2.252 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.9 p -104.67 164.53 11.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.336 1.454 . . . . 0.0 112.772 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.12 -34.98 72.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.061 1.344 . . . . 0.0 111.038 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -67.52 -33.3 74.79 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.197 -2.19 . . . . 0.0 110.596 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.82 -28.89 69.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.78 1.3 . . . . 0.0 113.72 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.22 10.16 41.97 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 119.328 -2.108 . . . . 0.0 112.038 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.4 m120 69.1 30.63 4.33 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 125.468 1.73 . . . . 0.0 113.179 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -82.97 107.61 14.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 O-C-N 120.839 -1.163 . . . . 0.0 107.915 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -115.17 166.31 11.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 124.291 1.996 . . . . 0.0 110.578 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.253 36.8 pttt -33.34 139.2 0.06 Allowed 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 112.212 -2.267 . . . . 0.0 114.257 -173.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 71.25 11.47 6.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -65.66 150.54 48.3 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.382 168.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.2 m -114.89 113.91 24.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mp -95.43 158.29 15.52 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -105.88 131.11 53.6 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.784 -1.823 . . . . 0.0 106.765 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -104.99 109.56 21.6 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 102.937 -2.986 . . . . 0.0 102.937 173.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -100.78 144.58 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.74 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.577 ' H ' HD12 ' A' ' 8' ' ' LEU . 37.1 mt -108.47 137.99 45.51 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 117.689 2.478 . . . . 0.0 117.689 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -67.13 124.29 22.66 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 126.808 3.194 . . . . 0.0 118.22 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.3 mt -105.37 -19.72 13.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.832 2.853 . . . . 0.0 108.157 163.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -138.37 158.27 44.6 Favored 'General case' 0 CA--C 1.581 2.139 0 O-C-N 125.562 1.789 . . . . 0.0 109.268 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.67 150.14 6.16 Favored Glycine 0 C--N 1.349 1.295 0 C-N-CA 126.303 1.906 . . . . 0.0 114.58 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.813 0 CA-C-O 117.499 -1.723 . . . . 0.0 115.321 171.2 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 4.9 ptt? . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 113.807 -2.997 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -90.81 149.57 21.92 Favored 'General case' 0 CA--C 1.552 1.023 0 O-C-N 127.022 2.701 . . . . 0.0 114.357 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 pt -139.06 159.87 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 163.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -122.09 124.82 44.82 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 118.958 -1.097 . . . . 0.0 112.489 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.4 124.0 65.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -114.39 124.43 51.93 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 119.143 -2.223 . . . . 0.0 107.313 -174.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -67.31 162.24 23.24 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 117.214 -1.374 . . . . 0.0 112.2 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.8 -42.62 89.54 Favored 'General case' 0 C--N 1.386 2.163 0 O-C-N 126.392 2.308 . . . . 0.0 112.066 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -72.57 -30.36 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.168 -1.583 . . . . 0.0 114.759 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.57 -12.03 4.3 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 119.812 2.685 . . . . 0.0 119.812 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 76.8 tttt -57.93 146.37 32.49 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.255 1.026 . . . . 0.0 108.425 177.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -120.51 116.26 25.06 Favored 'General case' 0 C--O 1.2 -1.541 0 O-C-N 119.332 -2.105 . . . . 0.0 107.945 -171.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.77 121.74 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 126.016 1.726 . . . . 0.0 108.422 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -93.66 130.48 39.58 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 119.975 -1.703 . . . . 0.0 107.122 176.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -119.46 123.4 43.96 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 173.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 1' ' ' MET . 15.6 tp10 -74.38 127.36 32.82 Favored 'General case' 0 C--O 1.254 1.318 0 O-C-N 125.295 1.622 . . . . 0.0 111.075 157.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.53 165.91 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.416 0 CA-C-N 113.692 -1.595 . . . . 0.0 109.922 -171.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -106.57 161.36 23.12 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 112.907 -1.951 . . . . 0.0 112.058 171.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -72.1 -13.91 28.76 Favored 'Trans proline' 0 N--CA 1.507 2.319 0 CA-C-N 122.637 1.977 . . . . 0.0 113.329 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -95.91 8.78 42.68 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 125.981 2.051 . . . . 0.0 110.648 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -75.66 135.24 40.45 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 120.042 -1.661 . . . . 0.0 111.82 166.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.7 p -82.93 163.67 20.93 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-O 127.423 3.487 . . . . 0.0 113.649 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.77 -45.2 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 115.006 -2.426 . . . . 0.0 108.317 169.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.82 -40.38 41.77 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 121.011 1.732 . . . . 0.0 114.142 168.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -65.22 -45.84 83.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.905 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.578 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -57.36 -40.22 77.61 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.59 86.31 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.58 -38.56 84.99 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 126.288 2.242 . . . . 0.0 114.481 165.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.16 -40.65 87.6 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 119.904 -1.747 . . . . 0.0 111.247 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -56.42 -42.88 78.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 126.45 2.344 . . . . 0.0 111.416 170.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -63.91 -47.63 79.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 116.766 -1.588 . . . . 0.0 113.859 169.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -69.64 -51.41 35.11 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 120.775 1.625 . . . . 0.0 114.635 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 20.6 mm-40 -122.48 -6.36 8.71 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.113 1.324 . . . . 0.0 112.881 -164.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.93 33.41 41.49 Favored Glycine 0 C--N 1.369 2.371 0 CA-C-O 117.021 -1.989 . . . . 0.0 114.878 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -100.1 123.11 48.16 Favored Pre-proline 0 C--N 1.402 2.884 0 CA-C-N 121.167 2.484 . . . . 0.0 106.959 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -52.99 140.32 59.43 Favored 'Trans proline' 0 CA--C 1.573 2.449 0 O-C-N 124.273 1.67 . . . . 0.0 116.353 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -51.15 -38.41 60.47 Favored 'Trans proline' 0 N--CA 1.507 2.295 0 N-CA-C 118.237 2.36 . . . . 0.0 118.237 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -84.39 0.86 47.79 Favored 'General case' 0 C--N 1.309 -1.18 0 O-C-N 126.266 2.229 . . . . 0.0 110.372 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -107.19 30.14 6.48 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 121.368 -0.832 . . . . 0.0 112.005 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -135.51 152.79 51.66 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-O 124.795 2.236 . . . . 0.0 110.071 -172.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -140.91 146.19 37.09 Favored 'General case' 0 N--CA 1.394 -3.229 0 N-CA-C 104.716 -2.327 . . . . 0.0 104.716 162.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt -123.36 119.12 29.15 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mt -104.27 155.91 5.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 124.825 1.328 . . . . 0.0 110.229 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -157.73 115.26 3.02 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -176.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 7.53 96.33 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 128.99 2.916 . . . . 0.0 117.878 -169.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.97 -9.5 52.84 Favored Glycine 0 C--N 1.363 2.03 0 CA-C-O 117.084 -1.953 . . . . 0.0 115.665 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -139.33 125.16 19.64 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-O 125.281 2.467 . . . . 0.0 114.0 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.73 135.81 50.23 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 119.599 -1.938 . . . . 0.0 108.691 165.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.4 131.65 47.38 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 125.385 2.517 . . . . 0.0 116.165 -170.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' CD ' HH21 ' A' ' 54' ' ' ARG . 50.9 mt-10 -66.13 143.2 57.44 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 129.001 2.921 . . . . 0.0 117.035 171.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.79 -38.46 80.01 Favored 'General case' 0 CA--C 1.49 -1.352 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.276 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.43 22.66 39.61 Favored Glycine 0 C--O 1.206 -1.624 0 O-C-N 123.422 0.451 . . . . 0.0 111.981 -161.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.431 HH21 ' CD ' ' A' ' 51' ' ' GLU . 30.9 mmt180 -105.82 150.01 25.97 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 174.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -82.95 165.87 19.34 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.272 -0.892 . . . . 0.0 113.314 161.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.55 -36.02 79.43 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.745 0.783 . . . . 0.0 111.415 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 t -63.78 -36.77 84.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 118.624 -2.547 . . . . 0.0 114.202 167.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -62.33 -33.96 75.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.335 1.425 . . . . 0.0 111.826 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -90.04 -4.27 57.49 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.368 2.4 m120 78.3 38.11 0.18 Allowed 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.968 173.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.8 mm -72.54 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 CA-C-O 124.21 1.957 . . . . 0.0 109.563 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -104.06 164.32 11.79 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.628 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -69.86 131.8 45.02 Favored 'General case' 0 CA--C 1.573 1.856 0 CA-C-O 126.429 3.014 . . . . 0.0 113.322 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.287 25.4 mt-10 83.5 23.05 0.14 Allowed 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 112.342 -2.208 . . . . 0.0 113.25 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 m -68.26 137.64 54.89 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -98.99 126.66 44.74 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.337 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 mp -133.75 153.83 51.42 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 125.455 1.722 . . . . 0.0 108.213 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -120.84 128.59 52.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 118.241 -1.384 . . . . 0.0 112.997 -161.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.3 124.21 36.2 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 117.887 -1.525 . . . . 0.0 108.734 -175.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t -110.04 105.09 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 167.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . 0.251 17.7 tp -59.36 134.12 56.72 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 113.638 -1.619 . . . . 0.0 113.255 169.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -92.94 141.43 28.42 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.58 173.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.49 151.23 19.48 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 123.281 1.515 . . . . 0.0 110.821 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -132.67 156.21 47.39 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -172.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.78 -164.42 35.37 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 118.929 -1.605 . . . . 0.0 110.748 164.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 C-N-CA 128.323 2.868 . . . . 0.0 109.853 -175.338 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.6 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.024 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -79.87 138.61 37.21 Favored 'General case' 0 C--N 1.38 1.911 0 CA-C-O 123.436 1.589 . . . . 0.0 114.101 -173.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 pt -133.59 141.85 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 O-C-N 118.497 -2.627 . . . . 0.0 109.524 165.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -98.37 115.0 27.54 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 124.883 1.273 . . . . 0.0 108.797 -172.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -96.09 133.6 36.71 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -105.6 121.76 44.65 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -71.5 167.82 18.87 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 117.552 -3.218 . . . . 0.0 110.84 162.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.52 -36.58 84.24 Favored 'General case' 0 C--N 1.373 1.597 0 O-C-N 126.185 2.178 . . . . 0.0 107.391 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -100.7 11.88 38.62 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.55 9.89 28.12 Favored Glycine 0 C--N 1.285 -2.294 0 CA-C-O 117.3 -1.833 . . . . 0.0 114.239 159.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -76.85 136.81 38.91 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 121.917 2.859 . . . . 0.0 107.787 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -91.56 127.34 36.97 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 127.371 2.919 . . . . 0.0 107.18 172.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -120.32 127.27 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.43 0 N-CA-C 103.089 -2.93 . . . . 0.0 103.089 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -119.27 123.74 44.98 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 126.86 2.064 . . . . 0.0 109.475 -168.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -117.14 156.88 26.88 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 127.672 3.108 . . . . 0.0 111.665 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -109.16 115.98 31.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 128.132 2.573 . . . . 0.0 104.332 172.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -132.91 -171.98 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -143.31 157.23 60.25 Favored Pre-proline 0 CA--C 1.57 1.72 0 O-C-N 117.624 -3.172 . . . . 0.0 106.114 167.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -70.4 -7.89 22.31 Favored 'Trans proline' 0 N--CA 1.513 2.623 0 CA-C-N 120.477 1.206 . . . . 0.0 114.334 -168.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -92.01 0.86 57.47 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.668 1.587 . . . . 0.0 112.566 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -74.36 150.85 39.89 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.082 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 p -102.68 170.9 7.74 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.56 -33.39 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.719 0 CA-C-O 116.48 -1.724 . . . . 0.0 114.695 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -53.4 -40.24 64.92 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.686 169.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.98 -30.55 71.54 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 117.064 -1.446 . . . . 0.0 114.298 169.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -76.99 -33.71 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 121.369 1.895 . . . . 0.0 106.999 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -63.65 -40.59 97.23 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 118.651 -2.53 . . . . 0.0 111.343 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.88 78.52 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 124.989 1.316 . . . . 0.0 113.111 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.93 -36.95 85.1 Favored 'General case' 0 C--N 1.362 1.12 0 CA-C-N 118.987 0.812 . . . . 0.0 112.518 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.95 -43.39 79.47 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.976 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -56.96 -42.81 80.82 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 120.528 1.513 . . . . 0.0 112.885 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.267 3.4 t0 -59.79 -46.32 89.58 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.88 -1.137 . . . . 0.0 113.48 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -69.51 -51.51 35.11 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 169.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -121.93 5.98 9.86 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -163.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.92 9.66 86.9 Favored Glycine 0 CA--C 1.551 2.327 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mm -84.53 121.38 74.92 Favored Pre-proline 0 N--CA 1.508 2.454 0 CA-C-N 119.042 1.421 . . . . 0.0 112.035 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -62.79 123.79 12.93 Favored 'Trans proline' 0 N--CA 1.517 2.873 0 C-N-CA 123.399 2.733 . . . . 0.0 114.838 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -51.14 -38.41 60.4 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 123.261 2.641 . . . . 0.0 115.51 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -59.43 -40.43 86.73 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 122.592 1.187 . . . . 0.0 111.804 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -88.13 -24.45 23.37 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 126.16 1.784 . . . . 0.0 112.993 -168.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.68 140.77 46.1 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -137.57 116.18 12.1 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.3 mt -112.0 126.65 55.37 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.127 -173.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.58 134.86 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.903 0 C-N-CA 125.254 1.422 . . . . 0.0 109.536 -172.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -141.73 120.49 12.65 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.31 39.54 28.4 Favored 'General case' 0 N--CA 1.516 2.846 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -165.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.0 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 117.395 1.718 . . . . 0.0 117.395 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -144.84 159.69 42.48 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.275 2.537 . . . . 0.0 108.552 172.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -51.74 159.86 0.74 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 131.315 3.846 . . . . 0.0 117.866 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -126.66 131.03 51.52 Favored 'General case' 0 N--CA 1.514 2.756 0 O-C-N 126.258 2.224 . . . . 0.0 106.502 -168.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.11 129.97 35.07 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.197 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.94 -33.67 57.47 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 113.388 -1.733 . . . . 0.0 110.852 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.41 85.85 Favored Glycine 0 C--N 1.293 -1.86 0 N-CA-C 118.289 2.076 . . . . 0.0 118.289 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -98.1 139.19 34.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.212 -1.169 . . . . 0.0 111.57 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -73.79 158.67 34.15 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.508 168.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.15 -26.41 65.75 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.844 2.457 . . . . 0.0 111.255 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.7 p -78.75 -18.78 53.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.97 1.471 . . . . 0.0 114.97 175.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.84 -35.41 76.91 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -89.32 -14.18 36.29 Favored 'General case' 0 C--O 1.185 -2.299 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.314 -177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 67.97 40.33 2.32 Favored 'General case' 0 N--CA 1.509 2.495 0 C-N-CA 127.13 2.172 . . . . 0.0 112.992 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.402 HD12 HD21 ' A' ' 67' ' ' LEU 0.277 4.5 mt -59.58 138.36 20.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 CA-C-O 122.111 0.957 . . . . 0.0 111.344 161.542 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -136.25 -177.58 4.77 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 113.184 -1.825 . . . . 0.0 108.19 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -58.82 125.7 24.61 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.213 2.672 . . . . 0.0 118.213 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 78.23 18.21 1.12 Allowed 'General case' 0 C--N 1.362 1.116 0 O-C-N 118.978 -2.326 . . . . 0.0 112.187 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.292 22.0 m -63.67 139.56 58.78 Favored 'General case' 0 CA--C 1.463 -2.375 0 CA-C-O 117.367 -1.301 . . . . 0.0 111.843 166.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -117.25 114.11 23.16 Favored 'General case' 0 C--N 1.384 2.088 0 O-C-N 126.964 2.665 . . . . 0.0 112.89 -171.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD21 HD12 ' A' ' 61' ' ' ILE . 64.5 mt -105.32 153.46 21.59 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-O 115.261 -2.304 . . . . 0.0 108.398 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -116.55 124.24 49.38 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 125.615 1.822 . . . . 0.0 107.607 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -90.42 147.33 23.5 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-O 123.741 1.734 . . . . 0.0 110.707 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 t -144.37 137.52 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.54 126.22 33.12 Favored 'General case' 0 C--O 1.193 -1.906 0 CA-C-O 124.949 2.309 . . . . 0.0 107.613 166.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -32.9 132.14 0.15 Allowed 'General case' 0 N--CA 1.499 1.977 1 N-CA-C 122.821 4.378 . . . . 0.0 122.821 174.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.436 HD13 ' H ' ' A' ' 74' ' ' ARG . 27.9 tp -112.44 129.23 56.4 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.878 -1.964 . . . . 0.0 107.462 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.436 ' H ' HD13 ' A' ' 73' ' ' LEU . 30.9 mmt180 -88.84 145.24 25.7 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.58 156.46 7.31 Favored Glycine 0 C--N 1.365 2.14 0 C-N-CA 129.807 3.575 . . . . 0.0 119.653 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 2.136 0 CA-C-N 114.443 -0.879 . . . . 0.0 111.145 178.217 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.516 2.869 0 CA-C-O 120.348 0.118 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -79.94 143.85 33.84 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.07 134.55 66.25 Favored 'Isoleucine or valine' 0 C--N 1.373 1.607 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 162.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -100.52 118.36 36.55 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.32 133.18 66.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 122.747 1.261 . . . . 0.0 110.425 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -99.67 121.48 41.3 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.219 -173.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.5 p -81.6 165.0 21.48 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 124.075 1.893 . . . . 0.0 111.497 173.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -57.15 -42.88 81.84 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 112.558 -2.11 . . . . 0.0 115.89 168.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -8.26 2.2 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 169.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.7 22.33 26.42 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 117.454 1.742 . . . . 0.0 117.454 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -105.33 140.08 39.0 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 118.759 -2.613 . . . . 0.0 112.125 -170.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -79.58 110.96 15.39 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.039 -1.064 . . . . 0.0 110.461 167.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.5 mm -102.22 132.84 47.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 m -77.31 123.54 26.62 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.0 mt -113.58 129.28 56.59 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 118.571 -1.251 . . . . 0.0 113.151 171.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -102.65 112.66 25.53 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.45 147.26 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.116 -163.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -86.4 153.96 56.5 Favored Pre-proline 0 N--CA 1.475 0.802 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.32 -19.84 61.89 Favored 'Trans proline' 0 N--CA 1.515 2.782 0 N-CA-C 108.93 -1.219 . . . . 0.0 108.93 -175.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -91.27 17.11 8.74 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 119.474 -2.016 . . . . 0.0 113.799 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.34 139.71 30.23 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-O 124.2 1.952 . . . . 0.0 111.559 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -70.02 154.26 42.17 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 124.411 2.053 . . . . 0.0 115.724 172.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -63.8 -31.19 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 O-C-N 118.457 -2.652 . . . . 0.0 113.509 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.09 -53.21 28.77 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-O 124.387 2.041 . . . . 0.0 113.061 163.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . 0.293 39.6 t-20 -58.51 -44.93 89.64 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 114.226 -1.352 . . . . 0.0 113.254 172.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -59.98 -42.78 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.643 0 O-C-N 119.996 -1.69 . . . . 0.0 111.377 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -60.09 -35.45 75.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 126.669 2.481 . . . . 0.0 117.412 163.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.36 64.56 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-O 117.388 -1.292 . . . . 0.0 108.858 174.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -68.92 -30.71 69.23 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 124.056 0.847 . . . . 0.0 111.977 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.9 tt -91.69 -15.95 8.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 118.406 -2.684 . . . . 0.0 107.404 -175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.25 18.4 tt0 -64.31 -45.04 89.67 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 124.667 1.187 . . . . 0.0 112.485 162.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -57.38 -51.99 67.17 Favored 'General case' 0 C--N 1.364 1.219 0 O-C-N 125.185 1.553 . . . . 0.0 110.99 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -60.37 -55.56 32.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.57 -1.956 . . . . 0.0 115.83 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -124.41 -18.85 5.64 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.815 0.816 . . . . 0.0 112.696 -160.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.5 30.77 20.85 Favored Glycine 0 C--N 1.364 2.086 0 O-C-N 120.35 -1.469 . . . . 0.0 114.824 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.9 pp -71.96 150.55 92.74 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 115.225 -2.321 . . . . 0.0 109.211 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -88.42 108.41 0.54 Allowed 'Trans proline' 0 C--N 1.282 -2.963 0 CA-C-O 112.704 -3.124 . . . . 0.0 116.903 174.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -43.68 -53.76 4.2 Favored 'Trans proline' 0 N--CA 1.523 3.221 1 C-N-CA 125.407 4.072 . . . . 0.0 118.174 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.62 -31.68 69.72 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 125.167 1.542 . . . . 0.0 113.968 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -78.45 -15.38 58.7 Favored 'General case' 0 C--N 1.367 1.352 0 O-C-N 119.551 -1.968 . . . . 0.0 114.727 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -123.92 120.59 32.98 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -166.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -100.11 120.52 39.98 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.774 2.03 . . . . 0.0 108.8 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.7 tp -78.54 128.93 34.23 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.934 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.92 141.2 20.07 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 119.959 -1.713 . . . . 0.0 108.696 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.68 139.29 49.02 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.541 2.4 . . . . 0.0 109.944 159.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.316 . . 40.18 55.61 2.68 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 125.29 1.436 . . . . 0.0 114.135 -176.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.93 -1.02 18.57 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 118.336 2.094 . . . . 0.0 118.336 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -121.59 127.47 50.94 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 118.796 1.298 . . . . 0.0 109.053 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.56 132.97 55.59 Favored 'General case' 0 N--CA 1.513 2.707 0 C-N-CA 125.671 1.589 . . . . 0.0 112.19 170.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.34 122.08 44.71 Favored 'General case' 0 N--CA 1.514 2.733 0 CA-C-O 116.8 -1.572 . . . . 0.0 109.806 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.4 140.97 57.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 125.633 1.833 . . . . 0.0 114.038 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.91 -39.66 90.2 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 123.566 1.65 . . . . 0.0 113.107 -171.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.78 -24.56 62.54 Favored Glycine 0 C--N 1.37 2.463 0 N-CA-C 119.723 2.649 . . . . 0.0 119.723 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -95.42 149.8 20.99 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.422 1.489 . . . . 0.0 113.089 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 p -77.55 167.61 21.33 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 117.745 -1.582 . . . . 0.0 113.323 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.77 -45.09 94.31 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.703 1.601 . . . . 0.0 111.27 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -66.29 -41.57 89.6 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 128.008 3.318 . . . . 0.0 110.828 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.86 -44.68 86.72 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 119.714 1.143 . . . . 0.0 112.452 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -81.34 -7.27 59.55 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.653 1.581 . . . . 0.0 114.445 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.52 36.94 2.74 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.869 1.667 . . . . 0.0 112.686 175.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.6 mm -85.15 131.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.371 1.511 0 C-N-CA 124.323 1.049 . . . . 0.0 110.175 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -111.49 159.01 18.49 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 125.633 1.833 . . . . 0.0 110.2 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.01 146.77 31.56 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-N 111.455 -2.611 . . . . 0.0 113.235 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.304 39.2 mt-10 77.35 0.33 2.94 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.6 m -82.63 148.56 27.91 Favored 'General case' 0 CA--C 1.564 1.493 0 CA-C-O 123.512 1.625 . . . . 0.0 110.104 173.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.0 m -109.08 128.96 55.43 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -165.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mp -127.15 158.73 36.27 Favored 'General case' 0 C--O 1.196 -1.743 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -132.53 115.24 15.23 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.4 -2.063 . . . . 0.0 110.76 -166.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.23 140.27 57.11 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.933 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t -129.06 138.87 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 CA-C-N 119.462 1.028 . . . . 0.0 109.297 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.27 139.36 58.76 Favored 'General case' 0 CA--C 1.592 2.562 0 O-C-N 118.314 -2.741 . . . . 0.0 111.065 172.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -44.69 154.39 0.13 Allowed 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 111.545 -2.57 . . . . 0.0 114.485 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.69 141.03 56.79 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.584 168.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -126.47 132.74 51.36 Favored 'General case' 0 N--CA 1.502 2.128 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.734 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.77 -144.77 0.43 Allowed Glycine 0 C--N 1.372 2.567 0 CA-C-O 124.669 2.261 . . . . 0.0 117.169 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.05 0 CA-C-N 112.72 -1.74 . . . . 0.0 111.315 -178.345 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.543 0.687 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.59 140.5 29.48 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-O 121.867 0.841 . . . . 0.0 110.288 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.1 168.92 21.48 Favored 'Isoleucine or valine' 0 C--N 1.374 1.633 0 O-C-N 120.124 -1.61 . . . . 0.0 109.18 159.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -113.41 143.88 43.73 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.65 111.84 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 173.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -105.06 112.41 25.53 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.212 -0.93 . . . . 0.0 109.618 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -66.6 147.69 52.93 Favored 'General case' 0 C--N 1.37 1.465 0 CA-C-O 122.581 1.182 . . . . 0.0 112.328 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 8' ' ' LEU . 13.1 tp -62.76 -11.6 18.67 Favored 'General case' 0 N--CA 1.504 2.266 0 CA-C-O 121.964 0.887 . . . . 0.0 111.952 174.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.6 p -86.83 -8.96 56.83 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.066 -1.647 . . . . 0.0 114.452 169.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.96 32.52 6.14 Favored Glycine 0 C--O 1.256 1.526 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 172.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -117.45 123.2 45.8 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-O 122.378 1.085 . . . . 0.0 111.217 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.9 m -97.75 107.08 19.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -172.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mm -92.51 128.03 44.33 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 125.973 2.046 . . . . 0.0 110.365 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.4 p -76.06 120.17 21.0 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 126.47 2.356 . . . . 0.0 112.822 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 tp -129.57 151.03 50.63 Favored 'General case' 0 C--N 1.401 2.817 0 O-C-N 119.684 -1.885 . . . . 0.0 111.468 174.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -114.51 123.53 49.62 Favored 'General case' 0 C--N 1.375 1.706 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.06 165.29 28.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 125.512 1.525 . . . . 0.0 109.575 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -105.29 163.49 17.03 Favored Pre-proline 0 CA--C 1.557 1.248 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.26 -23.87 15.06 Favored 'Trans proline' 0 N--CA 1.506 2.228 0 C-N-CA 121.419 1.413 . . . . 0.0 113.279 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 p -81.01 -0.51 39.97 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 171.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -66.91 146.7 54.11 Favored 'General case' 0 C--N 1.378 1.839 0 CA-C-N 119.787 1.176 . . . . 0.0 111.261 171.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -96.25 162.86 13.33 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 126.934 2.646 . . . . 0.0 108.903 172.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 HG13 ' HB3' ' A' ' 50' ' ' LEU . 19.4 mm -60.92 -38.14 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 113.808 -1.542 . . . . 0.0 114.547 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -58.62 -36.69 74.46 Favored 'General case' 0 C--O 1.272 2.279 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 160.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.44 -43.19 97.09 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 120.806 1.639 . . . . 0.0 112.546 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.04 -39.25 81.62 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 123.565 1.65 . . . . 0.0 113.793 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.96 -39.22 88.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 118.588 -2.57 . . . . 0.0 112.349 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.91 41.79 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -76.21 -36.22 58.7 Favored 'General case' 0 N--CA 1.415 -2.222 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.42 -43.4 90.35 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 165.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -59.77 -32.82 70.95 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 118.559 2.799 . . . . 0.0 118.559 171.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.91 -47.93 75.99 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.406 161.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -62.86 -46.91 85.69 Favored 'General case' 0 C--O 1.25 1.122 0 C-N-CA 118.257 -1.377 . . . . 0.0 114.431 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -135.16 -11.0 2.23 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 125.615 1.822 . . . . 0.0 111.9 -158.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 24.38 61.56 Favored Glycine 0 CA--C 1.544 1.88 0 N-CA-C 116.945 1.538 . . . . 0.0 116.945 174.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.7 mt -92.14 124.65 59.22 Favored Pre-proline 0 C--O 1.218 -0.597 0 CA-C-O 112.111 -3.804 . . . . 0.0 108.038 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -46.42 128.73 12.77 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 O-C-N 125.3 2.211 . . . . 0.0 111.931 -168.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.92 -28.02 11.64 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 CA-C-N 121.403 1.537 . . . . 0.0 113.718 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -11.15 60.62 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.441 1.713 . . . . 0.0 112.4 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -117.87 13.75 14.11 Favored 'General case' 0 CA--C 1.56 1.34 0 O-C-N 121.089 -1.007 . . . . 0.0 111.976 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -97.15 139.71 32.74 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -118.95 110.09 16.73 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 127.26 41.36 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 125.668 1.855 . . . . 0.0 111.134 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -115.53 143.7 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -116.06 113.41 23.13 Favored 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 122.171 0.986 . . . . 0.0 112.165 161.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.91 45.49 6.41 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.66 6.7 52.34 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 117.753 1.861 . . . . 0.0 117.753 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -135.05 114.24 12.23 Favored 'General case' 0 CA--C 1.585 2.306 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.71 125.78 25.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.289 1.436 . . . . 0.0 107.613 171.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HB3' HG13 ' A' ' 23' ' ' ILE . 38.9 mt -99.78 114.61 27.87 Favored 'General case' 0 N--CA 1.406 -2.661 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 -167.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.94 141.31 54.01 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.203 1.401 . . . . 0.0 111.107 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.86 -32.97 69.93 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 117.167 -1.397 . . . . 0.0 113.987 -160.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.42 62.85 Favored Glycine 0 N--CA 1.505 3.284 0 O-C-N 128.164 3.415 . . . . 0.0 111.883 -171.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -77.85 158.46 29.45 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.461 -1.023 . . . . 0.0 110.081 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.2 p -107.42 163.01 13.41 Favored 'General case' 0 C--O 1.194 -1.851 0 CA-C-N 118.947 0.794 . . . . 0.0 109.663 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.2 mt -57.99 -36.83 73.19 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.4 m -54.97 -39.22 68.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 170.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.85 -36.84 81.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.48 1.512 . . . . 0.0 111.581 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -99.33 8.6 44.54 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -178.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m120 67.81 44.64 1.55 Allowed 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 121.522 -0.736 . . . . 0.0 109.29 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.0 mt -98.32 101.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.459 1.6 . . . . 0.0 108.015 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -89.38 162.26 15.88 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.262 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -53.51 140.86 26.93 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.603 -1.311 . . . . 0.0 112.969 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.282 47.4 mt-10 62.28 17.88 9.71 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.081 1.752 . . . . 0.0 115.044 -168.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -71.82 143.19 49.56 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-O 122.709 1.242 . . . . 0.0 108.689 166.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.03 121.47 38.95 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.658 -1.61 . . . . 0.0 106.726 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.86 153.15 19.0 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-O 122.615 1.198 . . . . 0.0 107.837 168.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -102.22 136.59 41.77 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 124.309 2.004 . . . . 0.0 107.755 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 tp -108.74 128.41 54.85 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.429 HG21 ' HB2' ' A' ' 8' ' ' LEU . 91.2 t -126.56 129.96 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.58 136.11 38.44 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.715 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -94.71 13.13 25.41 Favored 'General case' 0 C--N 1.371 1.532 0 CA-C-O 122.432 1.111 . . . . 0.0 110.918 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.2 mt -56.21 134.28 53.0 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -141.31 164.51 30.04 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 127.042 2.137 . . . . 0.0 105.565 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.06 -157.38 4.02 Favored Glycine 0 C--O 1.207 -1.533 0 N-CA-C 118.869 2.307 . . . . 0.0 118.869 -166.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.735 0 CA-C-N 110.955 -2.623 . . . . 0.0 114.579 -169.216 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.525 3.31 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.15 134.21 50.15 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 119.566 -1.959 . . . . 0.0 114.363 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.69 161.83 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 163.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -108.83 146.5 33.56 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 124.051 1.882 . . . . 0.0 109.656 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.15 125.72 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 CA-C-N 112.523 -2.126 . . . . 0.0 108.619 164.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.18 129.02 34.89 Favored 'General case' 0 C--N 1.363 1.192 0 O-C-N 127.536 3.023 . . . . 0.0 110.664 160.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -96.47 168.29 10.64 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 114.081 -1.418 . . . . 0.0 114.035 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.13 -8.37 56.36 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 p -98.88 2.91 47.06 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 124.06 0.944 . . . . 0.0 109.631 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.05 28.96 57.67 Favored Glycine 0 N--CA 1.424 -2.104 0 CA-C-O 118.728 -1.04 . . . . 0.0 113.041 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.25 70.9 tttt -92.72 149.64 21.18 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 118.517 1.159 . . . . 0.0 110.267 167.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -112.17 129.02 56.39 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 pt -123.69 142.12 41.51 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.308 0 CA-C-N 112.8 -2.0 . . . . 0.0 111.505 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -105.65 131.15 53.38 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 126.271 2.232 . . . . 0.0 108.345 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -129.67 161.01 31.58 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -169.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -126.31 118.95 26.14 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 124.925 2.298 . . . . 0.0 107.098 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.2 m -151.54 158.3 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 125.356 1.462 . . . . 0.0 107.348 -175.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -111.01 164.13 15.64 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 119.588 -1.945 . . . . 0.0 111.069 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -45.38 -41.13 17.65 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 N-CA-C 117.749 2.173 . . . . 0.0 117.749 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -90.95 1.11 57.3 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 118.912 -2.368 . . . . 0.0 113.041 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -66.61 135.92 54.84 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.82 1.191 . . . . 0.0 113.419 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -67.05 151.81 46.94 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 121.001 -1.062 . . . . 0.0 111.427 171.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.58 -30.09 48.4 Favored 'Isoleucine or valine' 0 C--N 1.39 2.342 0 O-C-N 124.742 1.276 . . . . 0.0 110.51 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.85 -43.5 73.11 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.039 1.336 . . . . 0.0 113.736 170.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -73.76 -27.3 61.09 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 119.466 1.03 . . . . 0.0 112.078 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 t -67.81 -45.34 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 169.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -57.28 -40.7 78.31 Favored 'General case' 0 N--CA 1.513 2.725 0 CA-C-O 126.484 3.04 . . . . 0.0 112.703 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.04 73.49 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 111.767 -2.47 . . . . 0.0 114.414 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.46 -26.24 51.25 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.4 -35.89 34.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.281 0 O-C-N 119.511 -1.993 . . . . 0.0 108.641 169.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.342 1.9 tp-100 -53.24 -53.02 56.88 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 125.195 1.559 . . . . 0.0 113.92 168.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -49.61 -51.4 37.7 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 128.123 2.569 . . . . 0.0 113.26 169.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -67.25 -62.61 1.34 Allowed 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -106.75 -7.93 17.03 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 116.544 -1.694 . . . . 0.0 111.778 -161.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.33 11.75 64.09 Favored Glycine 1 CA--C 1.583 4.293 0 CA-C-N 122.307 2.321 . . . . 0.0 115.712 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mm -92.14 112.71 56.37 Favored Pre-proline 0 C--N 1.378 1.814 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.886 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.37 133.12 19.97 Favored 'Trans proline' 0 N--CA 1.512 2.599 0 C-N-CA 122.714 2.276 . . . . 0.0 113.346 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.39 -26.75 76.95 Favored 'Trans proline' 0 CA--C 1.48 -2.175 0 N-CA-C 117.425 2.048 . . . . 0.0 117.425 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.38 -15.58 61.85 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 125.006 1.441 . . . . 0.0 113.557 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -96.67 7.46 46.51 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 126.527 2.392 . . . . 0.0 108.963 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -112.83 153.91 27.11 Favored 'General case' 0 CA--C 1.572 1.803 0 C-N-CA 122.582 0.353 . . . . 0.0 110.991 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -147.2 121.18 9.38 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 170.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -95.12 148.92 21.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.68 -2.512 . . . . 0.0 114.9 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.4 mt -133.68 144.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 O-C-N 120.193 -1.567 . . . . 0.0 108.5 -174.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -148.0 145.14 28.4 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 114.637 -2.602 . . . . 0.0 105.734 165.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.64 30.74 16.96 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 128.472 3.608 . . . . 0.0 112.714 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.67 80.82 Favored Glycine 0 C--N 1.302 -1.339 0 N-CA-C 117.615 1.806 . . . . 0.0 117.615 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -137.87 145.66 42.45 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 118.111 0.956 . . . . 0.0 108.636 -166.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.59 142.25 27.99 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 127.379 2.925 . . . . 0.0 109.752 -170.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.07 124.86 53.57 Favored 'General case' 0 C--O 1.205 -1.273 0 O-C-N 124.847 1.342 . . . . 0.0 108.796 -171.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.29 139.98 57.31 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.08 -41.43 96.63 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 112.141 -2.3 . . . . 0.0 113.726 -167.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.39 10.13 55.89 Favored Glycine 0 CA--C 1.546 1.978 0 CA-C-O 115.01 -3.105 . . . . 0.0 111.822 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.433 HH21 ' CG ' ' A' ' 58' ' ' ASP . 19.8 mmm180 -113.04 169.23 9.08 Favored 'General case' 0 C--N 1.375 1.706 0 CA-C-N 123.055 3.427 . . . . 0.0 105.074 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -118.24 168.61 10.44 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-O 123.926 1.822 . . . . 0.0 110.428 -161.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.16 -36.01 78.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 118.74 -2.475 . . . . 0.0 114.577 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.252 43.3 t -55.27 -46.83 76.15 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 126.077 2.11 . . . . 0.0 115.048 161.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' CG ' HH21 ' A' ' 54' ' ' ARG . 73.1 m-20 -58.68 -43.2 89.86 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-O 125.618 2.628 . . . . 0.0 112.217 177.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -92.2 1.99 56.88 Favored 'General case' 0 N--CA 1.41 -2.447 0 CA-C-N 111.96 -2.382 . . . . 0.0 113.442 -173.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 t30 45.48 48.36 10.91 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 127.562 2.345 . . . . 0.0 116.982 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -76.73 144.87 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.788 0 CA-C-N 112.706 -2.043 . . . . 0.0 110.159 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -108.34 171.82 7.19 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.471 1.109 . . . . 0.0 111.031 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -60.87 139.57 57.94 Favored 'General case' 0 C--N 1.368 1.4 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 56.68 30.18 17.06 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.8 2.44 . . . . 0.0 115.48 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -66.87 157.9 31.95 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 121.233 -0.917 . . . . 0.0 111.795 170.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -113.14 109.09 18.21 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.871 1.32 . . . . 0.0 110.83 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -85.66 149.03 25.6 Favored 'General case' 0 CA--C 1.555 1.155 1 CA-C-N 108.125 -4.125 . . . . 0.0 110.618 169.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -118.55 131.54 56.21 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 101.452 -3.536 . . . . 0.0 101.452 -175.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 128.13 51.23 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-O 122.296 1.046 . . . . 0.0 111.323 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t -115.78 143.25 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 C-N-CA 126.521 1.928 . . . . 0.0 108.029 172.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.6 mt -96.29 157.51 15.87 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 121.489 -0.757 . . . . 0.0 110.523 -170.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -131.43 162.06 31.06 Favored 'General case' 0 C--O 1.26 1.635 0 CA-C-O 126.162 2.887 . . . . 0.0 106.882 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt -110.1 139.55 45.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 109.478 -3.51 . . . . 0.0 111.103 -172.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -63.33 141.42 58.77 Favored 'General case' 0 CA--C 1.564 1.517 0 O-C-N 119.531 -1.98 . . . . 0.0 114.506 169.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.66 141.49 7.75 Favored Glycine 0 C--N 1.364 2.137 0 O-C-N 125.402 1.688 . . . . 0.0 113.731 -172.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.488 -1.649 0 CA-C-O 115.989 -2.562 . . . . 0.0 108.366 172.074 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.54 153.71 24.73 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 124.271 1.986 . . . . 0.0 114.71 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 pt -140.01 161.16 26.17 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 O-C-N 119.748 -1.845 . . . . 0.0 109.094 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -111.54 122.52 48.05 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 112.798 -2.001 . . . . 0.0 106.524 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.73 113.75 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -85.07 123.73 30.93 Favored 'General case' 0 C--N 1.378 1.842 0 C-N-CA 123.471 0.708 . . . . 0.0 109.803 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 152.85 23.11 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 126.643 2.464 . . . . 0.0 110.075 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.77 -19.47 64.32 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.083 -2.261 . . . . 0.0 110.53 164.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -90.38 9.11 30.27 Favored 'General case' 0 C--N 1.39 2.335 0 O-C-N 127.46 2.975 . . . . 0.0 113.582 -172.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.88 37.3 16.51 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 120.453 -0.879 . . . . 0.0 114.773 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.8 168.69 19.26 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -137.36 114.18 10.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 103.12 -2.919 . . . . 0.0 103.12 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -83.38 112.58 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 111.969 -2.378 . . . . 0.0 112.469 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.7 m -81.88 118.25 22.78 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.236 -1.802 . . . . 0.0 110.15 170.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 pp -127.07 141.09 51.86 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 118.156 -1.418 . . . . 0.0 112.071 169.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -86.07 135.12 33.75 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.42 171.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.93 146.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.405 1.482 . . . . 0.0 112.162 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.62 156.41 65.12 Favored Pre-proline 0 C--N 1.372 1.585 0 C-N-CA 127.204 2.201 . . . . 0.0 109.572 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -72.23 -12.79 28.01 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 CA-C-N 124.27 2.561 . . . . 0.0 109.786 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 p -94.16 -0.84 54.99 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.47 149.85 49.35 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.16 -1.587 . . . . 0.0 108.896 172.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -97.97 155.55 17.04 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.795 1.934 . . . . 0.0 108.778 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -59.85 -34.82 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 O-C-N 118.171 -2.831 . . . . 0.0 110.464 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -42.29 -48.25 4.94 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 162.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -70.24 -32.93 71.0 Favored 'General case' 0 CA--C 1.598 2.805 0 C-N-CA 124.994 1.318 . . . . 0.0 111.313 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.57 -44.68 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.627 0 O-C-N 119.824 -1.798 . . . . 0.0 108.862 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.43 -38.53 87.61 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 127.512 3.008 . . . . 0.0 114.914 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.1 -30.59 67.83 Favored 'General case' 0 CA--C 1.581 2.148 0 O-C-N 126.107 2.13 . . . . 0.0 113.723 164.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.308 63.9 mttm -59.73 -42.94 94.27 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 115.346 -2.264 . . . . 0.0 113.784 163.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.8 mm -63.5 -33.31 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.759 0 O-C-N 125.557 1.785 . . . . 0.0 113.012 172.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.14 -41.83 84.56 Favored 'General case' 0 N--CA 1.428 -1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 111.147 173.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.57 -53.2 37.1 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.607 -1.308 . . . . 0.0 111.374 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -76.49 -24.15 53.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 116.204 -1.855 . . . . 0.0 113.515 -163.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -140.13 -8.06 1.18 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.784 1.302 . . . . 0.0 111.218 -175.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.07 31.06 44.23 Favored Glycine 0 C--N 1.364 2.131 0 CA-C-N 119.942 1.247 . . . . 0.0 114.606 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -99.64 122.15 52.26 Favored Pre-proline 0 C--O 1.255 1.366 0 C-N-CA 125.647 1.579 . . . . 0.0 111.452 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -65.75 149.26 87.06 Favored 'Trans proline' 0 C--N 1.301 -1.969 0 CA-C-O 113.788 -2.672 . . . . 0.0 111.119 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -59.2 -24.9 76.09 Favored 'Trans proline' 0 N--CA 1.513 2.671 0 C-N-CA 123.338 2.692 . . . . 0.0 117.547 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.79 -14.18 58.89 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.597 1.544 . . . . 0.0 108.938 -174.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -84.48 -10.72 57.22 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.698 -0.626 . . . . 0.0 111.51 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -106.07 141.09 38.03 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 117.278 -1.769 . . . . 0.0 110.465 -164.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -131.7 131.96 43.51 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.705 -3.813 . . . . 0.0 100.705 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -110.72 136.61 49.53 Favored 'General case' 0 N--CA 1.395 -3.185 0 CA-C-O 122.171 0.986 . . . . 0.0 112.336 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -122.84 133.11 69.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.131 0 CA-C-O 116.291 -1.814 . . . . 0.0 108.261 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -143.66 135.98 26.92 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 101.81 -3.404 . . . . 0.0 101.81 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.9 30.31 18.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.505 1.922 . . . . 0.0 115.048 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.29 16.81 60.83 Favored Glycine 0 C--O 1.252 1.242 0 CA-C-O 116.457 -2.301 . . . . 0.0 117.912 -169.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -122.02 151.41 40.86 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 124.408 2.051 . . . . 0.0 111.002 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.4 131.27 42.38 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 111.051 -2.795 . . . . 0.0 109.833 -174.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -97.32 128.08 43.85 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.931 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -84.65 146.03 27.68 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.74 -46.24 90.48 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 118.928 2.936 . . . . 0.0 118.928 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.83 -17.5 79.31 Favored Glycine 0 N--CA 1.489 2.167 0 CA-C-N 120.555 1.525 . . . . 0.0 114.177 -174.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -67.9 138.69 56.21 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 127.073 2.278 . . . . 0.0 112.878 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.411 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 68.5 p -82.42 166.68 19.18 Favored 'General case' 0 CA--C 1.558 1.265 0 O-C-N 119.9 -1.75 . . . . 0.0 113.651 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.42 -41.06 88.67 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 112.593 -2.094 . . . . 0.0 109.931 169.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -54.09 -45.33 71.77 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 82.1 m-20 -53.33 -37.92 62.75 Favored 'General case' 0 C--O 1.251 1.18 0 C-N-CA 126.735 2.014 . . . . 0.0 113.077 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -97.87 0.03 45.91 Favored 'General case' 0 CA--C 1.485 -1.519 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.275 25.5 m120 62.2 44.45 7.71 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.854 1.662 . . . . 0.0 113.688 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 mt -83.57 118.33 30.87 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-O 122.289 1.042 . . . . 0.0 111.184 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.79 167.44 11.26 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.211 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 142.79 12.49 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.264 37.9 mt-10 71.56 16.55 5.84 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.744 174.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.1 m -75.74 157.89 32.95 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 118.648 -1.221 . . . . 0.0 114.242 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.2 m -110.38 116.63 31.78 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.023 -2.298 . . . . 0.0 105.032 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.3 163.24 13.16 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 122.898 1.333 . . . . 0.0 112.584 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -117.8 139.88 50.46 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 118.822 -2.424 . . . . 0.0 110.253 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -114.73 128.33 56.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.575 2.35 . . . . 0.0 109.225 -175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.7 t -117.24 121.44 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.8 tp -85.52 123.79 31.35 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 126.627 2.455 . . . . 0.0 108.002 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -98.68 121.95 41.27 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-O 117.057 -1.449 . . . . 0.0 110.495 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 mt -74.0 147.73 42.69 Favored 'General case' 0 C--N 1.371 1.523 0 O-C-N 124.079 0.862 . . . . 0.0 110.212 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -56.05 139.05 48.11 Favored 'General case' 0 C--N 1.369 1.457 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 166.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.38 0.24 43.67 Favored Glycine 0 CA--C 1.547 2.057 0 O-C-N 119.129 -2.232 . . . . 0.0 109.366 -172.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.481 0 CA-C-O 115.89 -2.617 . . . . 0.0 112.236 160.513 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.528 3.446 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.55 149.6 24.25 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 126.367 2.292 . . . . 0.0 115.863 169.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 pt -138.7 168.11 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 112.415 -2.175 . . . . 0.0 107.556 164.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.14 138.88 53.34 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.78 -1.2 . . . . 0.0 110.714 -174.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.78 127.84 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 168.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -86.12 124.21 32.28 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 165.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -101.42 140.61 35.47 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.7 mt -86.36 13.1 8.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 109.08 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.2 p -91.31 -6.81 52.55 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.911 -1.118 . . . . 0.0 111.325 166.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.41 35.16 2.52 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 124.944 1.403 . . . . 0.0 112.044 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -136.4 157.78 45.98 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.99 1.895 . . . . 0.0 113.63 170.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 m -105.89 132.24 52.24 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.224 1.012 . . . . 0.0 109.136 173.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -108.86 143.14 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 m -113.88 126.09 54.79 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.47 0.481 . . . . 0.0 110.614 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD21 ' HB3' ' A' ' 29' ' ' LYS . 97.2 mt -112.78 126.95 55.98 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -91.65 122.22 34.02 Favored 'General case' 0 C--N 1.378 1.807 0 CA-C-O 124.27 1.986 . . . . 0.0 110.038 165.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.63 163.21 31.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.327 0 CA-C-N 111.124 -2.762 . . . . 0.0 111.525 -174.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -112.73 143.42 28.98 Favored Pre-proline 0 N--CA 1.483 1.214 1 N-CA-C 99.797 -4.149 . . . . 0.0 99.797 174.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.23 -6.46 13.25 Favored 'Trans proline' 0 N--CA 1.508 2.332 0 CA-C-N 124.146 2.517 . . . . 0.0 117.337 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -87.4 -3.97 59.02 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 117.995 -1.482 . . . . 0.0 112.228 166.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -71.72 145.26 48.91 Favored 'General case' 0 C--N 1.362 1.132 0 CA-C-N 122.369 2.35 . . . . 0.0 114.248 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 163.48 25.05 Favored 'General case' 0 C--O 1.26 1.645 0 O-C-N 119.152 -2.217 . . . . 0.0 114.058 172.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.09 -34.2 68.65 Favored 'Isoleucine or valine' 0 C--N 1.373 1.6 0 CA-C-N 110.319 -3.128 . . . . 0.0 111.737 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -58.08 -40.49 81.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.361 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.12 -42.24 89.44 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 116.97 -1.49 . . . . 0.0 112.799 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.43 -43.87 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 126.46 2.35 . . . . 0.0 110.382 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 26.2 mtpt -61.16 -31.31 71.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 119.997 -1.69 . . . . 0.0 113.872 171.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.59 -26.73 66.42 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 119.169 -1.013 . . . . 0.0 113.149 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB3' HD21 ' A' ' 15' ' ' LEU . 77.4 mttt -87.09 -28.7 22.37 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.001 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.02 -45.33 98.96 Favored 'Isoleucine or valine' 0 C--N 1.406 3.03 0 O-C-N 125.919 2.012 . . . . 0.0 110.073 164.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -64.48 -45.16 88.55 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.354 1.034 . . . . 0.0 110.528 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.23 -44.45 95.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 117.052 -1.451 . . . . 0.0 110.986 176.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -70.8 -56.69 5.78 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 119.082 2.993 . . . . 0.0 119.082 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -106.55 -3.25 21.01 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 123.792 0.682 . . . . 0.0 112.665 -165.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 28.1 64.04 Favored Glycine 0 N--CA 1.499 2.893 0 O-C-N 119.716 -1.865 . . . . 0.0 113.465 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.3 mt -98.39 128.73 32.29 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -54.23 129.98 37.32 Favored 'Trans proline' 0 N--CA 1.533 3.84 0 N-CA-C 117.583 2.109 . . . . 0.0 117.583 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -63.71 -19.01 66.53 Favored 'Trans proline' 0 N--CA 1.513 2.645 0 CA-C-N 121.453 1.555 . . . . 0.0 114.36 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.59 -34.95 67.67 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -97.76 -5.48 34.88 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 123.086 2.676 . . . . 0.0 114.182 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -84.94 128.41 34.61 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -123.53 127.79 48.83 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 124.411 1.07 . . . . 0.0 110.749 155.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.97 143.81 26.6 Favored 'General case' 0 C--N 1.366 1.286 0 CA-C-O 116.821 -1.562 . . . . 0.0 107.775 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -126.81 124.02 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.825 0 O-C-N 127.149 2.78 . . . . 0.0 105.93 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -118.63 95.83 5.02 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 123.949 1.833 . . . . 0.0 107.671 -170.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.82 42.97 0.68 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 118.035 2.605 . . . . 0.0 118.035 -163.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 -21.79 35.46 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 117.304 -1.831 . . . . 0.0 111.394 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -87.7 120.47 29.06 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 118.847 1.324 . . . . 0.0 111.456 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -81.1 128.25 33.53 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.093 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -75.87 162.79 27.83 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 125.505 1.753 . . . . 0.0 111.115 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -112.49 143.52 43.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 83.0 m-20 -58.56 -40.87 84.3 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 125.53 1.769 . . . . 0.0 115.464 -168.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.62 -4.49 76.2 Favored Glycine 0 CA--C 1.551 2.304 0 O-C-N 119.136 -2.227 . . . . 0.0 114.971 -165.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -83.33 158.62 22.11 Favored 'General case' 0 N--CA 1.511 2.606 0 CA-C-N 119.367 1.584 . . . . 0.0 109.954 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.7 p -90.93 153.47 20.16 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.579 1.657 . . . . 0.0 111.552 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.18 -35.95 60.4 Favored 'General case' 0 CA--C 1.577 2.006 0 O-C-N 119.877 -1.764 . . . . 0.0 110.304 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.8 t -59.37 -30.1 68.16 Favored 'General case' 0 CA--C 1.58 2.115 0 O-C-N 119.794 -1.816 . . . . 0.0 112.971 173.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.96 -21.0 60.18 Favored 'General case' 0 C--N 1.389 2.309 0 CA-C-N 119.888 1.222 . . . . 0.0 111.439 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -99.79 0.03 40.79 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 116.753 -1.594 . . . . 0.0 113.628 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.266 59.7 m-20 40.2 49.54 2.45 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 125.5 2.571 . . . . 0.0 116.399 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.82 122.13 31.98 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-N 113.694 -1.594 . . . . 0.0 108.171 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -112.65 169.35 8.96 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 110.668 -2.969 . . . . 0.0 113.807 -173.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 141.87 44.66 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 68.91 15.6 8.88 Favored 'General case' 0 N--CA 1.491 1.579 1 O-C-N 129.18 4.05 . . . . 0.0 112.816 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -73.7 160.82 30.99 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.685 -1.26 . . . . 0.0 112.462 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.0 m -123.88 112.47 17.29 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.845 1.658 . . . . 0.0 108.503 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.9 mt -111.09 149.6 30.59 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-O 123.689 1.709 . . . . 0.0 109.319 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -109.89 137.68 47.33 Favored 'General case' 0 CA--C 1.481 -1.682 0 O-C-N 119.304 -2.122 . . . . 0.0 106.579 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.75 109.64 21.58 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.778 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -103.19 142.05 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.6 mt -116.81 127.35 54.23 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-O 122.045 0.926 . . . . 0.0 110.549 -165.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -61.64 133.82 56.07 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-O 125.109 2.385 . . . . 0.0 114.184 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.65 134.02 34.0 Favored 'General case' 0 C--O 1.188 -2.132 0 CA-C-N 110.727 -2.942 . . . . 0.0 114.5 156.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -48.75 137.09 12.76 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 172.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.99 174.73 19.98 Favored Glycine 0 C--N 1.391 3.632 0 CA-C-O 117.89 -1.506 . . . . 0.0 114.628 171.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.57 0 CA-C-O 114.727 -3.263 . . . . 0.0 111.685 -171.832 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HE3' HG21 ' A' ' 3' ' ' ILE 0.293 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.593 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -87.55 135.15 33.47 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.131 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.426 HG21 ' HE3' ' A' ' 1' ' ' MET . 2.4 pp -126.54 167.53 21.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 104.94 -2.245 . . . . 0.0 104.94 173.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -122.09 153.75 38.27 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 123.75 1.738 . . . . 0.0 109.022 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.28 125.84 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 O-C-N 120.77 -1.206 . . . . 0.0 107.845 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -106.11 127.97 53.56 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -89.48 155.95 18.96 Favored 'General case' 0 C--O 1.258 1.513 0 CA-C-O 124.96 2.314 . . . . 0.0 109.091 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.64 -37.34 81.19 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.073 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -32.82 68.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 173.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.56 26.46 2.38 Favored Glycine 0 CA--C 1.474 -2.514 0 CA-C-O 118.018 -1.434 . . . . 0.0 114.819 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -108.43 149.94 28.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -116.27 114.07 23.87 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -86.05 138.23 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -109.81 105.44 14.66 Favored 'General case' 0 C--N 1.395 2.554 0 N-CA-C 104.727 -2.323 . . . . 0.0 104.727 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -113.43 124.82 53.33 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 101.119 -3.66 . . . . 0.0 101.119 -161.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -96.71 122.84 40.09 Favored 'General case' 0 N--CA 1.536 3.833 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.992 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.04 166.0 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.798 0 O-C-N 118.09 -2.881 . . . . 0.0 108.341 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -96.13 138.77 21.59 Favored Pre-proline 0 C--O 1.203 -1.37 0 CA-C-N 110.727 -2.942 . . . . 0.0 103.885 171.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.22 -28.06 69.28 Favored 'Trans proline' 0 N--CA 1.533 3.852 0 CA-C-N 122.738 2.014 . . . . 0.0 114.869 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.3 p -89.23 20.76 3.56 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 117.757 -1.116 . . . . 0.0 113.489 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.56 144.99 35.06 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 125.157 1.536 . . . . 0.0 114.398 166.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.8 p -84.02 160.8 20.92 Favored 'General case' 0 N--CA 1.52 3.035 0 CA-C-N 113.487 -1.688 . . . . 0.0 108.271 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.88 -34.84 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 119.422 -2.049 . . . . 0.0 111.239 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.42 -42.93 83.29 Favored 'General case' 0 CA--C 1.572 1.827 0 C-N-CA 117.801 -1.56 . . . . 0.0 114.753 170.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -64.46 -37.37 87.3 Favored 'General case' 1 N--CA 1.54 4.048 0 C-N-CA 125.625 1.57 . . . . 0.0 110.799 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.76 -41.74 89.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 126.98 2.675 . . . . 0.0 110.411 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.28 -42.03 97.96 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.716 1.606 . . . . 0.0 112.477 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.56 64.3 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 123.287 1.518 . . . . 0.0 112.575 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.37 -37.47 66.03 Favored 'General case' 0 C--O 1.269 2.101 0 O-C-N 119.842 -1.786 . . . . 0.0 111.47 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.85 -30.11 49.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 O-C-N 123.686 0.617 . . . . 0.0 111.197 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -59.92 -49.46 77.6 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.577 1.551 . . . . 0.0 109.784 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.53 -42.68 99.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 119.32 3.082 . . . . 0.0 119.32 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -121.9 -16.96 7.47 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.183 1.81 . . . . 0.0 112.832 -172.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.88 56.56 8.03 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 -168.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.1 mt -124.47 120.72 25.96 Favored Pre-proline 0 C--N 1.394 2.507 0 CA-C-N 120.345 2.072 . . . . 0.0 106.071 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.34 141.4 95.63 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 CA-C-O 114.167 -2.514 . . . . 0.0 111.492 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -33.6 -44.72 0.32 Allowed 'Trans proline' 0 N--CA 1.527 3.45 1 C-N-CA 128.398 6.065 . . . . 0.0 117.007 172.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -86.68 -5.03 59.24 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.17 -21.81 36.34 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 117.456 -3.278 . . . . 0.0 110.529 167.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.79 122.9 30.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 127.358 2.911 . . . . 0.0 114.236 -170.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -118.21 123.81 46.39 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -105.23 133.84 49.33 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 124.688 2.185 . . . . 0.0 114.466 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -126.52 136.65 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.615 -169.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -131.25 130.05 42.37 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.24 33.58 11.52 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 162.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.19 74.65 Favored Glycine 0 CA--C 1.553 2.444 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.032 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -148.72 148.93 30.59 Favored 'General case' 0 CA--C 1.581 2.137 0 CA-C-N 118.842 1.321 . . . . 0.0 111.75 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.02 136.66 37.26 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 120.28 -1.512 . . . . 0.0 112.203 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 ' CE1' ' A' ' 59' ' ' TYR . 20.3 mt -70.73 139.5 51.13 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 117.622 -1.18 . . . . 0.0 113.325 175.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.96 139.46 44.87 Favored 'General case' 0 C--N 1.391 2.384 0 CA-C-N 118.763 0.71 . . . . 0.0 112.418 163.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -62.51 -40.67 97.47 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.51 0.87 75.02 Favored Glycine 0 N--CA 1.488 2.114 0 CA-C-N 120.167 1.349 . . . . 0.0 114.773 -171.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -83.16 150.06 26.48 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 116.307 -1.806 . . . . 0.0 111.228 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.1 p -96.65 164.58 12.53 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 125.315 1.634 . . . . 0.0 111.056 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.04 -19.98 63.27 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.626 1.679 . . . . 0.0 113.506 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -70.3 -35.15 73.5 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 116.465 -1.731 . . . . 0.0 113.744 168.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -65.33 -32.93 74.83 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 120.926 1.694 . . . . 0.0 111.75 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CE1' HD21 ' A' ' 50' ' ' LEU . 33.4 m-85 -86.37 -4.22 59.13 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 171.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.4 m120 57.24 38.66 28.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.181 0.515 . . . . 0.0 112.086 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.97 124.99 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.774 0.797 . . . . 0.0 110.988 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.14 153.15 26.17 Favored 'General case' 0 C--O 1.191 -2.0 0 CA-C-N 113.832 -1.531 . . . . 0.0 113.856 173.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -60.68 149.87 33.95 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.684 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 66.1 14.29 9.55 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 124.87 1.268 . . . . 0.0 114.38 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -95.65 170.67 9.17 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 119.234 0.925 . . . . 0.0 109.597 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.1 m -122.66 124.74 44.13 Favored 'General case' 0 C--O 1.19 -2.045 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -167.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.6 mt -90.7 139.67 30.5 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 165.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -94.53 144.37 25.64 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 122.84 1.305 . . . . 0.0 109.527 164.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 tp -114.06 128.93 56.6 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t -112.32 139.85 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 128.679 3.737 . . . . 0.0 110.059 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.4 mt -115.41 136.88 52.63 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 120.454 -1.403 . . . . 0.0 111.517 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -64.67 130.65 44.39 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 126.156 2.884 . . . . 0.0 110.702 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 tp -77.44 111.46 13.17 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 111.133 -2.758 . . . . 0.0 110.171 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -149.72 161.5 42.1 Favored 'General case' 0 C--N 1.373 1.62 0 O-C-N 124.851 1.345 . . . . 0.0 110.878 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.22 165.4 27.07 Favored Glycine 0 CA--C 1.556 2.65 0 O-C-N 127.21 2.819 . . . . 0.0 115.63 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.139 0 N-CA-C 107.698 -2.161 . . . . 0.0 107.698 -179.373 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ptt? . . . . . 0 N--CA 1.5 2.056 0 N-CA-C 106.46 -1.682 . . . . 0.0 106.46 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -100.43 147.62 25.65 Favored 'General case' 0 N--CA 1.509 2.498 0 CA-C-N 114.345 -1.298 . . . . 0.0 113.71 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -141.16 159.55 22.87 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -120.83 133.29 55.32 Favored 'General case' 0 CA--C 1.475 -1.924 0 CA-C-N 109.836 -3.347 . . . . 0.0 105.018 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.46 123.98 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.042 0 O-C-N 125.204 1.565 . . . . 0.0 108.008 175.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -103.62 135.29 45.48 Favored 'General case' 0 C--O 1.202 -1.433 0 C-N-CA 127.46 2.304 . . . . 0.0 108.135 -171.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -95.47 166.11 12.02 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 tp -66.96 -30.67 70.86 Favored 'General case' 0 CA--C 1.576 1.967 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -92.76 17.58 10.19 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-O 116.522 -1.704 . . . . 0.0 115.034 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 -18.22 33.24 Favored Glycine 0 N--CA 1.514 3.838 0 CA-C-N 121.307 1.867 . . . . 0.0 115.437 158.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -68.54 151.57 46.58 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.489 -1.243 . . . . 0.0 113.175 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.0 m -125.22 133.44 52.72 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 123.519 2.872 . . . . 0.0 108.738 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.43 128.95 63.6 Favored 'Isoleucine or valine' 0 C--N 1.401 2.807 0 O-C-N 118.697 -2.502 . . . . 0.0 107.735 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -108.11 116.65 32.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.589 1.54 . . . . 0.0 107.396 -166.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD12 ' CG1' ' A' ' 30' ' ' ILE . 12.1 mt -115.62 135.25 54.25 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 112.146 -2.297 . . . . 0.0 110.686 -169.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -101.45 119.99 39.6 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.63 169.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 C-N-CA 126.863 2.065 . . . . 0.0 110.054 -164.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -119.41 154.54 54.2 Favored Pre-proline 0 C--N 1.368 1.401 0 O-C-N 120.698 -1.251 . . . . 0.0 113.853 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -41.75 -46.75 6.44 Favored 'Trans proline' 1 N--CA 1.547 4.673 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 171.253 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 p -86.74 25.84 1.21 Allowed 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 125.729 1.612 . . . . 0.0 110.684 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -100.19 136.97 39.26 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 168.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -78.44 162.61 26.27 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 124.478 2.085 . . . . 0.0 112.471 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.42 -34.99 73.77 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 113.202 -1.817 . . . . 0.0 109.625 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.77 -42.91 76.21 Favored 'General case' 0 C--N 1.373 1.619 0 CA-C-O 122.984 1.373 . . . . 0.0 114.308 171.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -67.01 -43.24 83.37 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-N 111.736 -2.484 . . . . 0.0 114.634 172.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.9 -42.56 95.15 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.205 0 O-C-N 119.549 -1.97 . . . . 0.0 109.667 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.48 -44.57 95.8 Favored 'General case' 0 N--CA 1.527 3.398 0 CA-C-O 122.874 1.321 . . . . 0.0 111.139 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.78 68.23 Favored 'General case' 0 CA--C 1.56 1.335 0 O-C-N 118.598 -2.564 . . . . 0.0 113.783 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -68.17 -35.7 78.46 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.113 0.87 . . . . 0.0 110.442 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.422 ' CG1' HD12 ' A' ' 15' ' ' LEU . 79.5 mt -74.51 -25.06 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.803 1.241 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.39 -45.78 87.67 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 127.563 2.345 . . . . 0.0 113.51 170.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -74.71 -21.96 59.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 126.307 2.254 . . . . 0.0 111.387 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -85.36 -62.1 1.61 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 122.615 1.198 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -115.29 14.71 16.9 Favored 'General case' 0 C--O 1.189 -2.121 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.908 -169.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.68 30.15 66.67 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 119.923 -1.735 . . . . 0.0 113.64 168.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mt -95.86 120.01 63.85 Favored Pre-proline 0 CA--C 1.576 1.979 0 CA-C-N 119.608 1.704 . . . . 0.0 110.339 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.97 130.9 8.19 Favored 'Trans proline' 0 N--CA 1.518 2.968 0 CA-C-N 120.561 1.236 . . . . 0.0 114.165 162.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -68.52 -34.35 20.22 Favored 'Trans proline' 0 N--CA 1.518 2.952 0 CA-C-O 122.059 0.774 . . . . 0.0 112.839 -160.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.26 -10.52 57.6 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.094 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -71.64 -14.3 62.02 Favored 'General case' 0 C--N 1.371 1.524 0 CA-C-N 122.877 2.58 . . . . 0.0 111.485 164.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -83.29 125.2 31.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 118.362 -2.711 . . . . 0.0 114.961 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.294 85.8 mtt180 -106.68 111.9 24.65 Favored 'General case' 0 N--CA 1.418 -2.028 0 C-N-CA 125.189 1.396 . . . . 0.0 110.792 163.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.28 111.02 23.48 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.4 mt -113.6 134.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.89 0 CA-C-O 124.441 2.067 . . . . 0.0 106.127 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -133.83 125.72 29.0 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 119.056 -2.277 . . . . 0.0 107.322 170.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.93 61.79 2.93 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 125.989 2.055 . . . . 0.0 113.414 166.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 5.2 88.59 Favored Glycine 0 N--CA 1.509 3.536 0 CA-C-N 113.324 -1.762 . . . . 0.0 114.751 165.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -154.49 163.85 39.56 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -71.63 150.17 44.89 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 mt -85.16 126.01 33.29 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.576 160.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.17 140.64 58.43 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 123.599 1.666 . . . . 0.0 113.99 166.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.38 -36.41 79.13 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -167.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.91 5.57 70.15 Favored Glycine 0 N--CA 1.512 3.705 0 C-N-CA 127.762 2.601 . . . . 0.0 111.59 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -110.95 154.92 23.43 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.083 1.942 . . . . 0.0 106.111 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -90.16 159.85 16.55 Favored 'General case' 0 N--CA 1.426 -1.633 0 O-C-N 124.088 0.867 . . . . 0.0 112.381 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 118.774 -2.454 . . . . 0.0 111.783 162.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -68.8 -33.4 73.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.954 1.252 . . . . 0.0 110.497 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -60.25 -45.76 92.15 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 127.456 2.302 . . . . 0.0 113.487 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -86.32 -6.8 58.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.793 1.308 . . . . 0.0 108.425 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 77.52 29.72 0.52 Allowed 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -95.35 123.91 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.191 0 CA-C-O 115.558 -2.163 . . . . 0.0 108.562 -164.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -93.77 162.39 13.94 Favored 'General case' 0 C--O 1.194 -1.86 0 O-C-N 126.708 2.505 . . . . 0.0 111.435 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.57 151.95 0.07 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 166.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.37 44.6 mt-10 72.99 -9.88 1.07 Allowed 'General case' 0 C--O 1.194 -1.854 0 O-C-N 119.348 -2.095 . . . . 0.0 114.423 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -52.42 147.1 8.56 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 122.725 2.511 . . . . 0.0 116.991 172.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -99.91 114.34 27.51 Favored 'General case' 0 C--N 1.373 1.61 0 N-CA-C 105.669 -1.975 . . . . 0.0 105.669 175.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.35 159.02 16.21 Favored 'General case' 0 CA--C 1.491 -1.312 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -117.58 142.26 47.4 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 120.803 1.638 . . . . 0.0 109.652 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.72 121.81 43.62 Favored 'General case' 0 N--CA 1.52 3.035 0 O-C-N 128.347 3.53 . . . . 0.0 112.795 -174.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t -122.25 153.35 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 169.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.8 mt -115.18 144.74 43.22 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 127.03 2.132 . . . . 0.0 109.979 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . 0.252 72.9 mtt85 -87.26 137.17 32.57 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 118.9 -2.375 . . . . 0.0 116.489 -169.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.4 mt -123.38 2.85 9.11 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 119.033 -2.292 . . . . 0.0 108.937 166.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -155.77 142.17 18.55 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 126.008 2.068 . . . . 0.0 107.424 170.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -40.29 149.66 0.15 Allowed Glycine 0 C--N 1.375 2.735 0 N-CA-C 120.484 2.954 . . . . 0.0 120.484 -174.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 O-C-N 121.404 -1.057 . . . . 0.0 114.192 174.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -85.02 145.15 27.84 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-O 124.028 1.871 . . . . 0.0 109.603 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 pt -128.52 159.34 40.2 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 CA-C-N 111.288 -2.687 . . . . 0.0 106.006 164.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -109.41 135.14 50.93 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.335 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.36 115.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.846 0 O-C-N 124.887 1.367 . . . . 0.0 108.675 169.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.365 47.0 mtpt -107.08 118.25 36.2 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 123.725 1.726 . . . . 0.0 114.297 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.3 p -61.63 163.79 6.74 Favored 'General case' 0 C--N 1.423 3.786 0 O-C-N 117.935 -2.978 . . . . 0.0 114.072 171.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.2 -39.37 94.46 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 121.376 -0.828 . . . . 0.0 112.677 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.261 25.5 p -78.75 -17.23 56.14 Favored 'General case' 0 C--N 1.378 1.83 0 O-C-N 117.924 -2.985 . . . . 0.0 116.259 174.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.6 4.24 Favored Glycine 0 CA--C 1.557 2.711 0 CA-C-O 113.553 -3.915 . . . . 0.0 121.359 164.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -78.29 134.07 37.57 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 121.146 2.473 . . . . 0.0 114.06 165.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.8 m -96.55 126.29 41.63 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 124.88 1.362 . . . . 0.0 108.853 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.43 113.24 43.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 173.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.5 m -90.66 114.26 26.51 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 112.907 -1.951 . . . . 0.0 107.153 -172.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 mt -110.32 137.59 47.84 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 123.458 0.703 . . . . 0.0 112.054 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -101.33 118.22 36.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.616 -1.174 . . . . 0.0 111.173 172.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -147.56 160.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 O-C-N 124.739 1.274 . . . . 0.0 107.967 -174.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 31.0 mt-10 -100.77 165.59 14.02 Favored Pre-proline 0 CA--C 1.572 1.809 0 CA-C-O 117.248 -1.358 . . . . 0.0 109.0 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.57 -32.13 79.67 Favored 'Trans proline' 0 N--CA 1.531 3.692 0 CA-C-N 122.894 2.069 . . . . 0.0 116.097 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -93.79 5.85 50.31 Favored 'General case' 0 CA--C 1.567 1.611 0 O-C-N 120.389 -1.445 . . . . 0.0 110.595 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.53 154.4 32.61 Favored 'General case' 0 C--N 1.38 1.916 0 CA-C-O 123.442 1.591 . . . . 0.0 112.601 157.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.6 p -112.52 171.67 7.38 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 113.63 -1.623 . . . . 0.0 112.294 -164.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.16 -35.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.56 166.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.32 -36.14 81.26 Favored 'General case' 0 N--CA 1.518 2.975 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.949 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -60.39 -44.17 95.92 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.989 169.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.86 -47.06 89.94 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 CA-C-N 120.032 1.287 . . . . 0.0 112.675 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.68 -45.22 89.93 Favored 'General case' 0 C--N 1.375 1.676 0 CA-C-N 121.065 1.757 . . . . 0.0 115.095 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . 0.254 . . -57.37 -43.43 83.57 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 125.022 2.344 . . . . 0.0 112.053 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -66.29 -29.45 69.67 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 174.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -83.83 -25.31 7.6 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 125.512 1.758 . . . . 0.0 112.821 171.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.99 -50.0 70.07 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 157.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -61.5 -39.83 92.39 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 122.611 1.196 . . . . 0.0 114.003 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -80.93 -77.49 0.2 Allowed 'General case' 0 C--N 1.364 1.226 0 CA-C-O 114.774 -2.536 . . . . 0.0 111.675 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.301 76.7 mm-40 -88.4 -4.88 58.57 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.66 24.25 33.69 Favored Glycine 0 C--O 1.214 -1.129 0 O-C-N 127.255 2.847 . . . . 0.0 115.515 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.8 mt -96.27 132.53 26.51 Favored Pre-proline 0 N--CA 1.483 1.19 0 CA-C-O 116.427 -1.749 . . . . 0.0 111.733 -164.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -55.01 131.69 47.92 Favored 'Trans proline' 0 CA--C 1.563 1.955 0 C-N-CA 122.162 1.908 . . . . 0.0 112.367 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -47.95 -35.92 26.16 Favored 'Trans proline' 0 N--CA 1.508 2.366 1 C-N-CA 126.313 4.675 . . . . 0.0 114.032 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.7 -16.92 60.1 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-N 119.856 1.207 . . . . 0.0 113.32 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -87.26 -13.41 43.84 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 119.875 -1.765 . . . . 0.0 107.857 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.85 131.26 38.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 -168.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.08 113.7 23.52 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 160.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -105.77 124.61 49.85 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -123.18 133.5 68.93 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-O 124.135 1.922 . . . . 0.0 108.936 -163.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -146.72 147.2 30.72 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 104.986 -2.227 . . . . 0.0 104.986 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.91 36.17 23.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.072 1.749 . . . . 0.0 114.713 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.75 11.86 85.02 Favored Glycine 0 C--N 1.3 -1.422 0 N-CA-C 118.109 2.004 . . . . 0.0 118.109 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -149.75 153.92 37.66 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 119.846 1.823 . . . . 0.0 107.078 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.88 124.76 24.58 Favored 'General case' 0 C--O 1.258 1.508 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.104 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -66.71 147.67 52.95 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 112.495 -2.139 . . . . 0.0 113.688 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -104.26 140.89 37.21 Favored 'General case' 0 CA--C 1.578 2.041 0 O-C-N 124.428 1.08 . . . . 0.0 111.764 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.63 -50.52 24.2 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.56 -6.46 81.07 Favored Glycine 0 C--O 1.203 -1.805 0 CA-C-O 117.981 -1.455 . . . . 0.0 115.406 -170.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -92.33 166.26 12.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 123.359 1.552 . . . . 0.0 109.909 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -99.95 164.15 12.13 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.164 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.16 -30.38 71.54 Favored 'General case' 0 C--O 1.28 2.697 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.787 162.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -61.66 -39.94 93.14 Favored 'General case' 0 C--N 1.379 1.865 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 166.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.18 -33.37 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.325 1.05 . . . . 0.0 113.763 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -95.6 -5.31 42.81 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.43 64.95 0.78 Allowed 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 125.023 1.329 . . . . 0.0 110.761 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.2 mm -100.23 110.47 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 CA-C-O 125.921 2.772 . . . . 0.0 108.782 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -76.4 167.92 20.99 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 110.046 -3.252 . . . . 0.0 116.548 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -69.57 116.81 10.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.806 -166.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 82.8 29.56 0.1 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.692 2.187 . . . . 0.0 108.656 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 t -77.2 153.88 33.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 118.954 -2.341 . . . . 0.0 116.499 169.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.1 m -102.04 121.16 41.65 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 118.614 -2.554 . . . . 0.0 112.516 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.89 141.25 31.1 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 125.286 2.47 . . . . 0.0 111.498 161.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -89.67 137.67 32.13 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 119.96 -1.712 . . . . 0.0 109.117 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.9 tp -120.36 128.49 53.29 Favored 'General case' 0 C--O 1.264 1.829 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.5 t -134.56 143.88 36.56 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.406 0 N-CA-C 102.017 -3.327 . . . . 0.0 102.017 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.6 mt -105.33 153.83 21.1 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 123.874 0.734 . . . . 0.0 110.834 -169.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -66.98 127.82 33.99 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 170.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -89.29 134.98 33.83 Favored 'General case' 0 N--CA 1.408 -2.541 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -106.89 140.48 39.64 Favored 'General case' 0 N--CA 1.414 -2.273 0 CA-C-O 123.23 1.49 . . . . 0.0 109.345 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.93 -140.81 15.85 Favored Glycine 0 N--CA 1.481 1.673 0 N-CA-C 106.078 -2.809 . . . . 0.0 106.078 -173.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.849 0 CA-C-O 116.942 -2.032 . . . . 0.0 113.44 172.498 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 CA--C 1.555 1.171 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -106.73 124.09 49.1 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.82 152.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -105.29 138.74 41.02 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-O 123.313 1.53 . . . . 0.0 109.1 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.17 120.71 65.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 O-C-N 120.468 -1.395 . . . . 0.0 107.919 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -97.32 111.18 23.54 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.08 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -67.23 162.75 21.91 Favored 'General case' 0 C--N 1.411 3.278 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.98 -38.53 91.28 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 117.303 2.335 . . . . 0.0 117.303 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p -79.01 -15.02 58.83 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 168.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.68 27.99 2.2 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 118.959 2.343 . . . . 0.0 118.959 157.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -92.52 159.18 15.63 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 m -104.64 130.11 52.69 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 pt -116.96 145.44 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 CA-C-O 122.474 1.13 . . . . 0.0 110.299 161.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -110.85 122.86 48.91 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.902 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 mt -117.22 133.17 56.31 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 109.354 -174.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.79 113.37 22.56 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.532 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -128.56 172.53 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.686 1.195 . . . . 0.0 112.839 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.26 158.26 41.67 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -58.76 -32.87 97.9 Favored 'Trans proline' 0 N--CA 1.518 2.961 0 C-N-CA 120.96 1.107 . . . . 0.0 114.632 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -81.42 0.53 37.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 127.042 2.714 . . . . 0.0 115.902 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -74.09 131.15 41.04 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 125.016 2.341 . . . . 0.0 111.495 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.1 p -75.86 155.21 35.52 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.805 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.91 -35.69 52.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.229 0 CA-C-N 110.337 -3.12 . . . . 0.0 111.493 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.45 -45.17 55.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 127.446 2.966 . . . . 0.0 112.873 165.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.69 -30.99 24.35 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 118.298 -2.751 . . . . 0.0 109.565 -172.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.76 -34.41 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.975 0 CA-C-N 119.724 1.147 . . . . 0.0 111.988 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -66.67 -34.89 78.87 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.502 -0.749 . . . . 0.0 111.331 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.29 96.87 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.605 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -60.6 -38.28 84.16 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 167.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.91 -42.9 94.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-N 120.191 1.359 . . . . 0.0 111.406 166.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -57.36 -43.82 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 121.607 2.003 . . . . 0.0 111.3 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -53.5 -61.93 1.98 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -62.24 -50.84 70.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.118 1.767 . . . . 0.0 111.805 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -98.94 -12.36 20.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.097 2.999 . . . . 0.0 119.097 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.86 78.44 Favored Glycine 0 C--O 1.175 -3.542 0 O-C-N 118.795 -2.441 . . . . 0.0 115.027 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.56 118.91 60.04 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 119.038 -2.448 . . . . 0.0 110.225 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -46.92 135.75 17.59 Favored 'Trans proline' 1 N--CA 1.548 4.69 0 CA-C-N 123.593 2.319 . . . . 0.0 117.739 167.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -50.37 -36.79 49.04 Favored 'Trans proline' 0 C--O 1.208 -0.994 0 C-N-CA 122.27 1.98 . . . . 0.0 116.754 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.22 -39.01 13.18 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 129.227 4.079 . . . . 0.0 112.0 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -97.21 8.54 44.34 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 124.783 1.302 . . . . 0.0 111.837 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -106.01 138.73 41.69 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.967 1.307 . . . . 0.0 110.301 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -125.11 137.11 54.18 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.602 1.561 . . . . 0.0 107.454 161.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -112.73 140.01 47.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.329 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.35 148.16 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.809 0 O-C-N 125.119 1.512 . . . . 0.0 113.097 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -141.28 130.27 23.22 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.594 1.557 . . . . 0.0 112.015 160.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.78 39.76 30.75 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.439 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.64 13.57 74.76 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 120.606 -1.309 . . . . 0.0 115.124 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -123.21 128.14 49.6 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 122.816 -0.226 . . . . 0.0 111.55 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -74.92 153.5 38.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 118.819 -1.153 . . . . 0.0 112.7 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.2 mt -108.85 126.93 53.58 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.933 0.873 . . . . 0.0 112.686 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.84 134.83 47.66 Favored 'General case' 0 C--N 1.378 1.806 0 C-N-CA 124.668 1.187 . . . . 0.0 113.012 170.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -58.28 -32.7 68.65 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.344 1.858 . . . . 0.0 113.919 -170.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.57 -10.67 81.33 Favored Glycine 0 C--O 1.194 -2.364 0 C-N-CA 124.487 1.042 . . . . 0.0 111.659 -172.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -89.27 141.84 28.18 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 119.882 -1.952 . . . . 0.0 110.561 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 65.9 p -82.16 172.63 12.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 124.207 1.956 . . . . 0.0 116.094 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.85 -28.58 66.22 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.707 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -91.35 -6.97 52.18 Favored 'General case' 0 N--CA 1.507 2.4 0 C-N-CA 125.346 1.458 . . . . 0.0 110.595 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -94.8 -13.39 25.65 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 167.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -101.69 6.58 41.95 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 115.728 -2.082 . . . . 0.0 110.896 160.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 53.39 48.32 22.17 Favored 'General case' 0 N--CA 1.415 -2.216 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mm -88.43 114.32 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.705 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . 0.264 16.3 mm100 -100.08 162.87 12.7 Favored 'General case' 0 C--O 1.194 -1.818 0 O-C-N 118.185 -2.822 . . . . 0.0 107.997 166.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 155.77 2.55 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -174.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.273 45.2 mt-10 78.26 1.97 2.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -79.8 137.72 37.05 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.9 m -93.97 111.29 22.98 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 126.844 2.59 . . . . 0.0 106.855 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.41 148.39 22.28 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 110.446 -3.07 . . . . 0.0 103.146 163.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.2 131.94 55.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.951 -1.718 . . . . 0.0 109.833 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -98.35 130.32 45.01 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.097 0.873 . . . . 0.0 112.745 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 CA--C 1.51 -0.566 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 178.065 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.47 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.219 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.59 139.69 51.4 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 124.205 1.955 . . . . 0.0 115.707 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -128.07 167.28 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.874 0 O-C-N 120.927 -1.108 . . . . 0.0 109.058 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -125.48 130.11 51.14 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.277 -0.889 . . . . 0.0 110.207 -165.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -117.94 128.43 75.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 0 C-N-CA 125.194 1.398 . . . . 0.0 109.434 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -92.06 124.09 35.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 126.688 2.493 . . . . 0.0 108.746 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -82.56 -169.36 2.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.613 -161.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -20.46 64.71 Favored 'General case' 0 C--O 1.26 1.629 0 O-C-N 118.511 -2.618 . . . . 0.0 111.123 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 m -94.37 -23.93 17.59 Favored 'General case' 0 CA--C 1.585 2.311 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.48 -5.11 19.38 Favored Glycine 1 N--CA 1.524 4.533 0 C-N-CA 130.442 3.877 . . . . 0.0 113.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -70.04 157.98 36.52 Favored 'General case' 0 C--N 1.388 2.279 0 C-N-CA 125.785 1.634 . . . . 0.0 107.417 -171.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -111.37 121.57 45.57 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 123.252 1.501 . . . . 0.0 109.585 -172.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -122.03 135.22 62.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -107.44 126.51 52.59 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 mt -118.31 134.63 54.87 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -100.78 131.24 46.76 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 115.762 -2.066 . . . . 0.0 105.511 -172.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 m -159.87 155.59 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 125.306 1.629 . . . . 0.0 110.365 -160.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.25 31.7 mt-10 -93.34 145.06 29.31 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 102.902 -2.999 . . . . 0.0 102.902 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -43.89 -27.17 1.56 Allowed 'Trans proline' 1 C--N 1.26 -4.089 0 N-CA-C 121.262 3.524 . . . . 0.0 121.262 158.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p -79.86 -14.8 58.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 126.85 2.594 . . . . 0.0 108.994 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -66.45 142.25 57.63 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-O 124.18 1.943 . . . . 0.0 111.263 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.9 p -86.63 155.92 20.23 Favored 'General case' 0 CA--C 1.474 -1.978 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.1 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.65 -31.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 125.332 1.645 . . . . 0.0 110.608 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.0 -38.66 76.55 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.057 -2.277 . . . . 0.0 114.394 165.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.28 -42.2 65.82 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 124.28 1.032 . . . . 0.0 110.852 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -58.65 -35.4 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 CA-C-N 120.158 1.344 . . . . 0.0 110.846 173.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' HG22 ' A' ' 30' ' ' ILE . 53.9 mtmt -70.92 -32.57 69.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 119.413 -2.054 . . . . 0.0 116.35 170.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.68 95.28 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.521 1.763 . . . . 0.0 112.111 168.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -61.37 -42.36 98.59 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 116.276 -1.821 . . . . 0.0 115.099 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.444 HG22 ' HA ' ' A' ' 27' ' ' LYS . 8.2 tp -64.23 -36.44 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 167.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.23 -46.31 90.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 118.629 -2.544 . . . . 0.0 112.008 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -58.3 -48.3 80.94 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 125.099 1.5 . . . . 0.0 111.39 170.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -75.85 -34.74 60.07 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -134.97 4.69 3.27 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 119.19 -2.194 . . . . 0.0 113.001 -168.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 39.01 73.77 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-O 116.757 -2.135 . . . . 0.0 114.163 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.3 135.49 24.32 Favored Pre-proline 0 CA--C 1.598 2.793 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.586 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.22 110.9 0.61 Allowed 'Trans proline' 1 N--CA 1.542 4.367 0 C-N-CA 125.076 3.85 . . . . 0.0 108.462 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -72.11 -43.66 1.08 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 N-CA-C 116.429 1.665 . . . . 0.0 116.429 -161.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.23 -13.48 58.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 127.656 3.098 . . . . 0.0 112.975 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -79.1 -26.56 42.95 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 127.099 2.16 . . . . 0.0 114.069 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.93 154.29 18.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-O 124.47 2.081 . . . . 0.0 110.772 173.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -122.55 131.9 54.05 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-N 110.995 -2.821 . . . . 0.0 105.77 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.6 mt -77.1 132.42 38.86 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 124.512 2.101 . . . . 0.0 113.856 169.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mm -109.1 137.23 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.991 -2.368 . . . . 0.0 106.718 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -132.41 134.03 44.63 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 123.281 1.515 . . . . 0.0 109.899 168.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.259 . . 50.03 35.01 8.98 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 118.304 -2.747 . . . . 0.0 115.46 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -12.5 58.97 Favored Glycine 0 C--N 1.361 1.939 0 C-N-CA 124.973 1.273 . . . . 0.0 110.641 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -130.03 135.14 47.93 Favored 'General case' 0 C--O 1.197 -1.667 0 CA-C-O 123.429 1.585 . . . . 0.0 112.784 -162.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.72 151.75 44.55 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 113.044 -1.889 . . . . 0.0 110.507 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -115.51 130.23 56.81 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 112.929 -1.942 . . . . 0.0 108.025 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.51 138.59 32.69 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.117 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -54.77 -46.38 74.39 Favored 'General case' 0 C--O 1.258 1.541 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -166.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.41 -10.18 86.41 Favored Glycine 0 CA--C 1.566 3.243 0 CA-C-N 119.212 0.914 . . . . 0.0 115.119 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -82.8 161.31 22.03 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 126.005 1.65 . . . . 0.0 111.797 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 p -103.19 168.74 8.98 Favored 'General case' 0 C--N 1.371 1.509 0 O-C-N 121.144 -0.973 . . . . 0.0 110.489 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.39 -31.9 72.43 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 119.509 -0.876 . . . . 0.0 112.646 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 t -74.78 -28.06 60.59 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 123.641 0.776 . . . . 0.0 112.369 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.94 -48.15 80.77 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.84 1.781 . . . . 0.0 110.133 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -82.45 -17.56 44.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 112.815 -1.993 . . . . 0.0 114.241 176.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 69.1 53.45 0.46 Allowed 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 125.51 1.524 . . . . 0.0 112.69 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -99.37 116.36 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 O-C-N 118.92 -2.362 . . . . 0.0 109.547 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -94.26 162.44 13.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 1' ' ' MET 0.33 0.0 OUTLIER -42.97 150.24 0.17 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 178.564 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.294 40.1 mt-10 65.35 21.68 11.96 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 113.096 -1.866 . . . . 0.0 115.554 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -86.79 148.71 25.29 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.6 m -99.2 118.16 35.29 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 124.82 2.247 . . . . 0.0 115.233 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mp -108.62 147.07 32.4 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 119.458 -2.026 . . . . 0.0 107.985 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -108.67 134.74 51.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.2 134.89 35.32 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.969 0.89 . . . . 0.0 111.13 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.25 1.4 p . . . . . 0 N--CA 1.501 2.077 0 O-C-N 119.711 -1.868 . . . . 0.0 110.712 169.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 116.961 -1.495 . . . . 0.0 108.667 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -85.08 137.7 32.88 Favored 'General case' 0 C--O 1.181 -2.513 0 CA-C-N 119.753 1.16 . . . . 0.0 112.184 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 pt -138.4 161.05 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.496 0 O-C-N 125.961 2.038 . . . . 0.0 111.426 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.2 m-85 -127.87 128.09 44.56 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 114.371 -1.286 . . . . 0.0 107.692 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.65 129.49 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -87.72 100.37 12.78 Favored 'General case' 0 C--N 1.282 -2.352 0 O-C-N 125.582 1.802 . . . . 0.0 109.322 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 21.4 p -65.76 160.52 22.8 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.582 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.66 -45.36 63.35 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 125.951 2.032 . . . . 0.0 112.98 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -87.28 -8.0 57.23 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -163.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 26.0 4.54 Favored Glycine 0 C--N 1.363 2.037 0 CA-C-O 117.847 -1.529 . . . . 0.0 115.133 163.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -100.48 133.77 44.42 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 118.314 1.057 . . . . 0.0 110.105 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -84.74 106.67 16.46 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 123.777 0.673 . . . . 0.0 111.174 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 mm -101.75 120.1 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -171.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -82.7 135.04 35.12 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.006 -1.683 . . . . 0.0 108.997 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.12 164.32 31.01 Favored 'General case' 0 C--N 1.382 1.996 0 O-C-N 124.291 0.994 . . . . 0.0 112.092 170.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -121.45 124.83 45.41 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 123.708 1.718 . . . . 0.0 108.289 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.3 t -126.73 133.07 69.39 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 CA-C-N 112.837 -1.983 . . . . 0.0 109.167 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -59.76 123.98 74.11 Favored Pre-proline 0 N--CA 1.411 -2.382 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.885 164.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -73.95 0.98 7.61 Favored 'Trans proline' 0 CA--C 1.48 -2.184 0 N-CA-C 115.194 1.19 . . . . 0.0 115.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.32 -1.09 42.55 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 118.72 -1.192 . . . . 0.0 111.282 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -76.1 168.97 19.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.511 -1.368 . . . . 0.0 108.782 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 34.2 p -81.2 153.84 26.98 Favored 'General case' 0 CA--C 1.567 1.602 0 O-C-N 124.947 1.404 . . . . 0.0 110.353 171.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 mm -52.08 -32.12 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.966 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.85 -32.05 60.19 Favored 'General case' 0 N--CA 1.524 3.228 0 CA-C-O 124.11 1.91 . . . . 0.0 112.069 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -57.3 -40.71 78.42 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 118.723 -2.485 . . . . 0.0 115.655 173.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.53 -42.06 92.55 Favored 'Isoleucine or valine' 0 C--N 1.376 1.725 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -63.2 -38.57 91.7 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.03 82.6 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -64.74 -44.42 90.19 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 116.315 -1.802 . . . . 0.0 111.606 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.4 -35.13 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 CA-C-N 120.094 1.316 . . . . 0.0 111.848 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -60.45 -43.64 96.66 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 116.837 -1.554 . . . . 0.0 112.329 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -64.43 -53.03 54.73 Favored 'General case' 0 C--N 1.396 2.608 0 C-N-CA 125.651 1.58 . . . . 0.0 112.195 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 10.0 mmpt? -55.6 -48.66 74.51 Favored 'General case' 0 C--O 1.274 2.353 0 CA-C-O 125.143 2.402 . . . . 0.0 115.147 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -121.93 -8.15 8.89 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -165.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.76 18.2 79.14 Favored Glycine 0 N--CA 1.487 2.096 0 CA-C-N 120.634 1.561 . . . . 0.0 115.781 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mt -88.98 121.81 69.4 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 115.551 -2.166 . . . . 0.0 111.449 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.67 136.95 72.97 Favored 'Trans proline' 0 N--CA 1.507 2.291 0 C-N-CA 122.819 2.346 . . . . 0.0 111.822 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -80.42 -19.29 9.09 Favored 'Trans proline' 0 N--CA 1.517 2.888 0 CA-C-N 122.846 2.052 . . . . 0.0 115.783 -171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -68.22 -34.03 75.5 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 116.337 1.976 . . . . 0.0 116.337 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -79.63 -11.67 59.86 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.694 -1.594 . . . . 0.0 113.248 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -78.39 139.46 38.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 123.403 1.573 . . . . 0.0 111.682 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.534 ' HB2' HG23 ' A' ' 70' ' ' VAL . 23.0 mmt85 -124.12 121.79 36.09 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 169.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.5 mt -95.83 140.49 30.53 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 126.302 2.251 . . . . 0.0 108.007 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.73 129.21 68.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -134.77 137.19 43.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 101.573 -3.491 . . . . 0.0 101.573 162.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 33.73 68.03 0.18 Allowed 'General case' 0 C--N 1.366 1.284 0 N-CA-C 121.178 3.77 . . . . 0.0 121.178 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.89 -20.91 44.59 Favored Glycine 0 N--CA 1.484 1.843 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 161.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -128.97 138.83 52.19 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-N 118.766 1.283 . . . . 0.0 113.248 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -73.13 121.14 19.75 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.65 137.36 58.06 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 128.113 2.565 . . . . 0.0 107.214 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -99.23 137.96 36.99 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-O 123.061 1.41 . . . . 0.0 107.471 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -52.23 -44.34 64.77 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -166.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.63 87.49 Favored Glycine 0 N--CA 1.487 2.098 0 O-C-N 126.992 2.683 . . . . 0.0 118.137 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 mtt-85 -91.26 172.73 8.34 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 118.7 1.25 . . . . 0.0 108.638 -176.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 55.6 p -97.25 160.37 14.37 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 118.452 0.569 . . . . 0.0 110.61 177.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.47 HD12 ' H ' ' A' ' 56' ' ' LEU . 5.9 mp -57.39 -34.77 69.22 Favored 'General case' 0 CA--C 1.564 1.507 0 O-C-N 125.901 2.001 . . . . 0.0 113.049 162.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.3 t -60.13 -33.82 72.67 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-O 115.089 -2.386 . . . . 0.0 113.655 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.24 -44.5 95.18 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.35 -3.72 55.97 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 126.441 2.338 . . . . 0.0 113.601 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 m120 62.62 47.1 5.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 118.788 0.722 . . . . 0.0 111.989 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -76.46 123.57 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -81.01 151.75 28.28 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.356 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -59.27 138.01 57.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 127.193 2.808 . . . . 0.0 111.548 167.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.291 30.3 mt-10 67.63 20.66 9.57 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.712 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.1 m -58.49 145.84 37.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.239 -1.538 . . . . 0.0 115.116 166.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 54.5 m -110.78 121.55 45.61 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 118.412 -0.804 . . . . 0.0 108.841 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.83 140.04 49.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.03 0.932 . . . . 0.0 109.237 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -92.47 148.29 22.22 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-O 124.297 1.999 . . . . 0.0 111.309 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 24.9 tp -108.88 111.25 22.86 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 112.215 -2.266 . . . . 0.0 114.79 171.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.534 HG23 ' HB2' ' A' ' 42' ' ' ARG . 8.5 m . . . . . 0 CA--C 1.499 -0.982 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 168.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 N--CA 1.551 4.592 0 CA-C-O 122.682 1.23 . . . . 0.0 108.841 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.34 136.02 49.46 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 166.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.91 162.6 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.543 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -104.47 158.18 16.65 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.803 2.24 . . . . 0.0 109.491 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 67' ' ' LEU . 38.1 t -130.07 127.9 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 25.1 tptp -119.71 126.84 52.05 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.125 1.44 . . . . 0.0 107.368 -170.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -113.18 158.07 20.9 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.478 1.132 . . . . 0.0 111.459 -165.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.23 -25.12 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.986 -1.071 . . . . 0.0 113.264 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -66.92 -18.01 65.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 169.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.57 38.43 3.46 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 116.206 1.242 . . . . 0.0 116.206 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -121.46 141.9 50.56 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -106.38 117.24 33.52 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 167.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.2 mm -106.91 134.1 49.56 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -98.98 125.11 44.36 Favored 'General case' 0 C--N 1.366 1.297 0 CA-C-O 123.722 1.725 . . . . 0.0 113.201 169.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 26' ' ' VAL . 1.7 pt? -140.46 139.2 35.13 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 117.772 -3.08 . . . . 0.0 109.437 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.49 118.02 35.79 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 112.058 -2.337 . . . . 0.0 111.449 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.83 163.6 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 124.9 1.375 . . . . 0.0 109.736 -161.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -116.44 160.73 34.96 Favored Pre-proline 0 C--O 1.192 -1.923 0 CA-C-O 115.916 -1.993 . . . . 0.0 111.181 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -67.63 -19.42 48.03 Favored 'Trans proline' 2 N--CA 1.544 4.49 0 N-CA-C 116.1 1.538 . . . . 0.0 116.1 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.2 p -79.71 -22.06 43.84 Favored 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 116.128 -1.891 . . . . 0.0 110.791 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.69 140.21 47.94 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 121.191 1.814 . . . . 0.0 111.781 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 p -89.78 158.28 17.57 Favored 'General case' 0 C--N 1.379 1.884 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.48 -31.88 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 CA-C-N 112.968 -1.924 . . . . 0.0 110.127 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.21 -53.08 55.92 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 161.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -57.67 -45.05 86.08 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.604 HG13 HD11 ' A' ' 15' ' ' LEU . 60.8 t -61.1 -39.9 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 CA-C-N 119.199 0.909 . . . . 0.0 113.312 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.45 -42.06 95.39 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 169.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' A' ' 31' ' ' GLN . . . -65.53 -36.67 84.52 Favored 'General case' 0 CA--C 1.576 1.951 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 175.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -63.35 -46.11 88.07 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 167.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.4 HD11 HD22 ' A' ' 15' ' ' LEU . 25.4 mm -69.39 -35.47 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.223 0 O-C-N 125.182 1.551 . . . . 0.0 111.012 174.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 1.7 tp-100 -56.51 -43.57 79.87 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.045 167.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -67.93 -45.95 72.85 Favored 'General case' 0 C--O 1.252 1.205 0 O-C-N 124.502 1.126 . . . . 0.0 113.49 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -66.13 -45.69 80.2 Favored 'General case' 0 C--O 1.257 1.464 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -119.74 -10.85 9.48 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.09 20.16 61.4 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 117.057 1.583 . . . . 0.0 117.057 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -90.37 130.17 42.66 Favored Pre-proline 0 CA--C 1.577 1.987 0 CA-C-N 119.53 1.665 . . . . 0.0 107.073 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -53.23 137.18 63.58 Favored 'Trans proline' 0 N--CA 1.528 3.553 0 C-N-CA 124.48 3.453 . . . . 0.0 111.077 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -87.07 15.2 2.23 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 CA-C-N 120.895 1.356 . . . . 0.0 110.429 -170.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -106.79 -23.61 12.34 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 125.823 1.649 . . . . 0.0 111.055 168.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -77.93 -37.24 48.14 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.86 -0.525 . . . . 0.0 109.822 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -48.55 133.01 17.06 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 118.548 2.795 . . . . 0.0 118.548 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -131.24 113.44 13.84 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 118.513 -2.617 . . . . 0.0 107.034 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -99.02 132.39 44.36 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-O 121.985 0.898 . . . . 0.0 111.572 -172.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mt -122.69 136.35 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.375 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -129.94 109.44 10.89 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.094 -2.321 . . . . 0.0 110.159 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.75 35.59 22.15 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.16 -8.59 30.71 Favored Glycine 0 C--N 1.376 2.78 0 N-CA-C 120.765 3.066 . . . . 0.0 120.765 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -78.03 124.91 28.59 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.333 1.453 . . . . 0.0 112.98 171.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -71.13 113.3 8.03 Favored 'General case' 0 C--O 1.26 1.639 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.06 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -79.67 116.45 19.87 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-O 122.204 1.002 . . . . 0.0 112.535 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -71.96 135.11 46.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.294 -1.504 . . . . 0.0 114.739 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.84 -44.93 82.6 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 -167.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.21 12.75 42.89 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-N 120.513 1.506 . . . . 0.0 112.417 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -89.43 147.26 24.12 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.975 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -88.56 171.4 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 125.646 1.841 . . . . 0.0 111.379 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -79.76 -21.28 44.62 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 115.719 -2.086 . . . . 0.0 109.529 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -55.73 -48.03 75.9 Favored 'General case' 0 C--N 1.376 1.744 0 O-C-N 125.383 1.677 . . . . 0.0 112.411 164.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -56.84 -41.62 78.21 Favored 'General case' 0 N--CA 1.513 2.701 0 C-N-CA 126.939 2.096 . . . . 0.0 114.776 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -79.54 -12.35 59.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 167.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.259 23.3 t-20 54.78 58.85 4.48 Favored 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 125.522 1.764 . . . . 0.0 114.024 -173.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -95.89 119.17 43.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -74.87 160.76 30.24 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 124.863 1.352 . . . . 0.0 110.781 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 148.84 10.24 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 0.0 113.539 167.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.346 62.7 mt-10 68.88 3.43 3.98 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 122.052 2.206 . . . . 0.0 116.401 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -63.42 155.49 28.86 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 125.082 1.488 . . . . 0.0 114.539 163.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.6 m -123.78 113.41 18.53 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.021 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.511 ' HB2' HG22 ' A' ' 5' ' ' VAL . 78.1 mt -85.55 150.42 24.68 Favored 'General case' 0 N--CA 1.42 -1.931 0 O-C-N 121.284 -0.885 . . . . 0.0 108.636 171.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -104.15 149.3 25.37 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.384 -1.447 . . . . 0.0 107.782 172.723 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.69 128.52 46.82 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 124.839 1.337 . . . . 0.0 110.846 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--N 1.374 1.647 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 173.625 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.548 4.429 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -95.31 136.15 36.02 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.1 pt -126.78 158.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -124.74 136.14 53.61 Favored 'General case' 0 C--O 1.198 -1.626 0 CA-C-O 117.685 -1.15 . . . . 0.0 108.303 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.8 t -125.55 133.43 69.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -91.07 119.77 31.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.734 1.254 . . . . 0.0 112.11 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.4 p -101.02 176.25 5.33 Favored 'General case' 0 C--N 1.373 1.603 0 CA-C-N 113.92 -1.491 . . . . 0.0 111.883 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -50.68 -36.22 34.73 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 119.122 3.008 . . . . 0.0 119.122 -160.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.3 p -81.47 -8.33 59.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 116.202 -1.856 . . . . 0.0 115.365 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.3 41.97 Favored Glycine 0 N--CA 1.494 2.551 0 CA-C-N 121.496 1.953 . . . . 0.0 113.216 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -58.39 163.53 3.02 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-O 122.808 1.29 . . . . 0.0 113.988 168.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -109.21 129.04 55.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 119.024 -2.297 . . . . 0.0 110.147 171.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.7 mm -101.25 127.25 54.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-O 122.593 1.187 . . . . 0.0 112.111 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -95.59 135.32 37.41 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 120.214 -1.553 . . . . 0.0 111.191 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.7 mt -131.43 126.27 34.66 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.101 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -85.68 118.66 25.32 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.21 -2.181 . . . . 0.0 112.871 169.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.2 m -137.8 165.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.773 0 CA-C-N 111.459 -2.61 . . . . 0.0 113.128 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.03 156.67 44.97 Favored Pre-proline 0 N--CA 1.494 1.755 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.54 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -66.28 -15.04 46.82 Favored 'Trans proline' 0 N--CA 1.507 2.272 0 CA-C-N 121.501 1.572 . . . . 0.0 113.27 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -99.1 10.78 40.76 Favored 'General case' 0 N--CA 1.409 -2.475 0 O-C-N 126.589 2.431 . . . . 0.0 113.292 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -90.1 117.98 29.29 Favored 'General case' 0 C--N 1.376 1.726 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.8 p -63.74 151.24 42.61 Favored 'General case' 0 C--O 1.191 -1.989 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.73 -23.21 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 CA-C-O 123.162 1.458 . . . . 0.0 113.638 173.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.83 -43.73 73.27 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 119.185 -2.197 . . . . 0.0 116.645 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -71.03 -35.67 72.07 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-O 116.164 -1.874 . . . . 0.0 110.823 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.0 t -58.09 -46.46 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 125.101 1.501 . . . . 0.0 109.737 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -66.09 -42.78 88.85 Favored 'General case' 1 N--CA 1.551 4.609 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 169.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.34 47.1 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.283 -0.885 . . . . 0.0 111.238 166.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -65.1 -42.44 94.02 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.78 -26.47 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 CA-C-N 119.727 1.149 . . . . 0.0 111.665 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.52 82.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.858 -1.151 . . . . 0.0 112.363 169.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -64.06 -52.73 57.99 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 118.619 -1.233 . . . . 0.0 113.93 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -66.87 -49.19 66.45 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -172.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -117.35 -21.53 8.66 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 120.848 1.658 . . . . 0.0 108.183 -167.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.28 3.04 31.31 Favored Glycine 0 C--N 1.377 2.85 0 O-C-N 119.664 -1.898 . . . . 0.0 114.349 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mm -68.98 127.44 93.11 Favored Pre-proline 0 CA--C 1.552 1.029 0 CA-C-O 116.719 -1.61 . . . . 0.0 112.515 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -52.39 138.61 56.24 Favored 'Trans proline' 0 CA--C 1.571 2.351 0 CA-C-N 120.539 1.228 . . . . 0.0 114.31 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.427 35.4 Cg_exo -49.1 -42.63 38.68 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-O 113.078 -2.967 . . . . 0.0 117.75 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -79.42 -15.66 57.46 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.375 1.898 . . . . 0.0 112.738 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -91.28 18.21 7.35 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.272 0.942 . . . . 0.0 113.184 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -99.47 121.24 40.87 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 120.469 -1.395 . . . . 0.0 110.453 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' HB2' HG23 ' A' ' 70' ' ' VAL . 12.5 mmm180 -125.2 116.03 21.36 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 169.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.47 125.16 51.57 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -165.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.46 HD11 HG22 ' A' ' 70' ' ' VAL . 3.9 mp -111.58 145.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 109.972 -176.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.99 114.24 9.57 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 162.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.57 58.51 3.82 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -1.94 64.24 Favored Glycine 0 N--CA 1.493 2.469 0 CA-C-N 114.468 -1.242 . . . . 0.0 113.906 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -106.83 110.53 22.71 Favored 'General case' 0 C--N 1.383 2.041 0 CA-C-N 118.717 1.258 . . . . 0.0 109.057 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -63.21 122.35 15.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 166.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 59' ' ' TYR . 47.4 mt -91.79 123.13 34.94 Favored 'General case' 0 N--CA 1.518 2.97 0 O-C-N 124.371 1.045 . . . . 0.0 109.712 -168.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.255 17.4 mt-10 -92.25 142.61 27.29 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -167.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.64 -40.15 74.92 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -161.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 -7.04 88.5 Favored Glycine 0 N--CA 1.482 1.76 0 O-C-N 119.63 -1.918 . . . . 0.0 113.994 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -80.33 152.72 28.81 Favored 'General case' 0 CA--C 1.563 1.443 0 O-C-N 125.201 1.177 . . . . 0.0 113.839 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -93.66 173.7 7.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 123.718 1.723 . . . . 0.0 115.2 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -72.79 -24.5 60.93 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.979 -1.7 . . . . 0.0 112.126 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -80.02 -16.13 55.77 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.602 172.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.05 -21.99 60.69 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 120.549 1.522 . . . . 0.0 111.211 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.443 ' CD1' HD22 ' A' ' 50' ' ' LEU . 70.4 m-85 -111.79 16.17 20.58 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 117.019 -1.467 . . . . 0.0 108.133 174.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m120 43.34 48.31 5.86 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 126.048 1.739 . . . . 0.0 114.238 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.259 19.3 mt -78.82 126.51 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 O-C-N 119.763 -1.835 . . . . 0.0 110.161 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -88.62 166.86 13.83 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 119.291 -2.13 . . . . 0.0 111.323 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -53.73 145.52 15.5 Favored 'General case' 0 N--CA 1.523 3.196 0 O-C-N 119.539 -1.976 . . . . 0.0 115.306 170.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 66.4 11.61 8.12 Favored 'General case' 0 C--N 1.389 2.283 0 CA-C-O 117.277 -1.344 . . . . 0.0 113.686 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -71.27 162.46 29.4 Favored 'General case' 0 N--CA 1.539 3.986 0 C-N-CA 127.568 2.347 . . . . 0.0 107.494 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -119.06 126.86 52.68 Favored 'General case' 0 C--O 1.196 -1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 111.317 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.7 mp -100.86 159.93 14.79 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 113.057 -1.883 . . . . 0.0 109.217 173.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -123.58 126.43 46.64 Favored 'General case' 0 C--N 1.385 2.152 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.11 138.19 31.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 121.195 0.521 . . . . 0.0 110.42 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.46 HG22 HD11 ' A' ' 44' ' ' ILE . 23.7 m . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 156.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.641 0 CA-C-O 117.709 -1.138 . . . . 0.0 113.992 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -101.71 136.82 40.91 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-O 116.81 -1.567 . . . . 0.0 108.778 -170.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.88 171.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' HB2' ' HA ' ' A' ' 66' ' ' THR . 20.4 m-85 -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 120.65 -1.281 . . . . 0.0 109.818 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.48 118.75 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 CA-C-O 123.602 1.668 . . . . 0.0 110.438 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -110.84 119.58 39.55 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 111.385 -2.643 . . . . 0.0 113.518 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.0 p -76.99 166.97 22.61 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.6 17.12 4.86 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.928 0.871 . . . . 0.0 112.099 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -125.41 22.56 7.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 112.317 -2.22 . . . . 0.0 111.738 170.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.83 77.43 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 119.117 2.407 . . . . 0.0 119.117 164.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -107.55 116.74 32.48 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.909 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -98.79 120.0 38.49 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 127.679 3.112 . . . . 0.0 107.419 170.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.79 141.32 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.08 0 CA-C-N 111.828 -2.442 . . . . 0.0 110.393 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -94.88 126.58 40.31 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 125.653 1.846 . . . . 0.0 112.261 164.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.45 141.48 52.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -171.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -103.24 112.18 24.93 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.16 151.36 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -97.09 145.73 30.11 Favored Pre-proline 0 C--O 1.199 -1.57 0 CA-C-O 112.898 -3.429 . . . . 0.0 105.689 165.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.47 -4.64 15.73 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 CA-C-N 124.364 2.594 . . . . 0.0 117.577 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -97.11 -5.06 38.23 Favored 'General case' 0 C--O 1.186 -2.28 0 CA-C-N 122.457 2.389 . . . . 0.0 109.818 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.1 141.68 58.68 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 127.101 3.334 . . . . 0.0 111.989 166.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.4 p -71.74 151.46 43.55 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 117.483 -3.261 . . . . 0.0 109.191 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.75 -32.69 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 123.828 3.013 . . . . 0.0 113.688 174.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.38 -33.36 75.55 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.813 2.551 . . . . 0.0 117.585 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 19.6 t-20 -55.49 -42.86 75.0 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 126.093 2.121 . . . . 0.0 110.184 159.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.296 56.5 t -63.51 -39.95 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 124.323 3.238 . . . . 0.0 115.089 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 30' ' ' ILE . 30.1 mtmt -57.91 -37.33 73.84 Favored 'General case' 0 CA--C 1.585 2.32 0 CA-C-O 122.789 1.28 . . . . 0.0 111.215 168.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -60.25 -39.55 87.14 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 174.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -67.12 -36.74 82.56 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 165.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 27' ' ' LYS . 59.9 mt -61.38 -35.65 67.88 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 O-C-N 124.668 1.23 . . . . 0.0 113.528 171.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.25 -38.61 80.49 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 174.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.55 -21.55 66.41 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 171.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -100.32 -47.28 4.98 Favored 'General case' 0 N--CA 1.518 2.968 0 O-C-N 120.897 -1.127 . . . . 0.0 110.648 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -116.9 -8.02 11.35 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 115.313 -2.28 . . . . 0.0 110.668 -170.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.32 19.69 73.76 Favored Glycine 0 C--N 1.376 2.762 0 N-CA-C 120.861 3.104 . . . . 0.0 120.861 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mm -108.57 130.07 23.21 Favored Pre-proline 0 C--O 1.202 -1.413 0 CA-C-O 116.373 -1.775 . . . . 0.0 111.596 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -54.4 142.37 69.79 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.438 2.092 . . . . 0.0 111.304 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -45.2 4.95 Favored 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 126.904 5.069 . . . . 0.0 115.83 169.415 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -65.63 -14.36 61.02 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -101.67 0.08 35.51 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -108.04 144.48 35.32 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -146.99 131.23 17.44 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.167 169.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.22 148.29 24.43 Favored 'General case' 0 N--CA 1.419 -2.013 0 C-N-CA 125.63 1.572 . . . . 0.0 111.43 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -125.0 131.12 72.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.311 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -139.27 133.61 31.5 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.286 . . 42.62 44.71 3.76 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.17 25.98 67.4 Favored Glycine 0 N--CA 1.472 1.035 0 O-C-N 125.553 1.783 . . . . 0.0 113.043 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.361 23.0 pttm -156.83 155.57 31.73 Favored 'General case' 0 N--CA 1.534 3.729 0 O-C-N 119.571 -2.135 . . . . 0.0 110.794 168.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -46.45 137.73 6.33 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 128.342 2.657 . . . . 0.0 115.864 171.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.7 mt -85.79 124.96 32.88 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 167.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.81 103.03 4.21 Favored 'General case' 0 C--N 1.397 2.656 0 O-C-N 120.328 -1.482 . . . . 0.0 111.056 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -15.05 -65.47 0.01 OUTLIER 'General case' 0 C--O 1.256 1.424 0 C-N-CA 127.984 2.514 . . . . 0.0 116.627 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.65 -23.12 70.4 Favored Glycine 0 CA--C 1.546 1.972 0 N-CA-C 117.851 1.9 . . . . 0.0 117.851 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -68.8 163.14 24.83 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.85 -1.97 . . . . 0.0 113.531 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.6 p -96.23 159.15 15.1 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.07 1.891 . . . . 0.0 115.462 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.45 -34.87 73.06 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 119.715 -1.866 . . . . 0.0 111.643 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.7 t -61.25 -40.51 94.32 Favored 'General case' 0 N--CA 1.51 2.557 0 C-N-CA 126.699 1.999 . . . . 0.0 106.215 167.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -64.04 -36.05 82.71 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 121.434 1.924 . . . . 0.0 113.416 -175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.95 5.91 50.18 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 40.45 53.54 2.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 -166.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.1 mt -84.55 109.92 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.275 1.43 . . . . 0.0 111.932 -175.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -94.28 166.66 11.99 Favored 'General case' 0 C--N 1.379 1.877 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -168.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -44.01 131.36 5.81 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 173.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 68.87 21.29 7.66 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.493 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.5 m -71.6 137.34 47.9 Favored 'General case' 0 C--N 1.38 1.901 0 O-C-N 120.561 -1.337 . . . . 0.0 110.431 161.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.466 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 57.0 m -101.92 112.57 25.24 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 -176.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.99 123.67 48.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.64 1.213 . . . . 0.0 110.181 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -71.85 136.38 46.96 Favored 'General case' 0 C--N 1.362 1.15 0 O-C-N 120.036 -1.665 . . . . 0.0 107.734 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -112.37 127.2 55.94 Favored 'General case' 0 N--CA 1.518 2.927 0 O-C-N 127.219 2.824 . . . . 0.0 107.024 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.42 -1.967 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -177.566 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 121.843 0.83 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -89.74 149.89 22.54 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 172.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.293 2.2 pp -141.23 154.07 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.076 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.788 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -111.25 136.72 49.92 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.512 -1.367 . . . . 0.0 111.57 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.43 134.56 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -97.97 114.65 26.83 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 112.503 -2.135 . . . . 0.0 107.92 170.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 44.8 p -75.07 163.81 27.19 Favored 'General case' 0 CA--C 1.589 2.465 0 O-C-N 117.061 -3.524 . . . . 0.0 114.617 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.86 -30.3 68.88 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 124.907 1.283 . . . . 0.0 113.319 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 m -68.72 -32.53 72.39 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-O 118.348 -0.834 . . . . 0.0 112.058 173.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.3 30.01 4.59 Favored Glycine 0 CA--C 1.543 1.825 0 O-C-N 125.728 1.893 . . . . 0.0 113.454 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -96.09 143.38 27.28 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-O 121.363 0.601 . . . . 0.0 109.384 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -102.19 121.61 42.58 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 121.195 -0.941 . . . . 0.0 108.506 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.7 mm -101.39 139.14 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -107.9 128.97 55.09 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mp -129.14 132.62 47.37 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.594 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -89.15 116.15 27.2 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-O 123.988 1.851 . . . . 0.0 112.535 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -143.28 162.82 16.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.742 0 CA-C-O 122.691 1.234 . . . . 0.0 109.702 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -95.76 156.13 37.68 Favored Pre-proline 0 C--O 1.205 -1.247 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.345 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.307 41.0 Cg_endo -60.64 -13.96 28.72 Favored 'Trans proline' 0 C--N 1.291 -2.463 0 CA-C-O 116.98 -1.342 . . . . 0.0 115.125 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -102.64 -0.26 32.15 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 122.981 2.628 . . . . 0.0 106.562 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -73.46 147.28 44.3 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 121.808 2.094 . . . . 0.0 109.85 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 59.3 p -88.28 165.66 14.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 120.212 1.369 . . . . 0.0 112.988 -176.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -60.22 -38.38 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.813 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.36 -50.12 63.01 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.231 -0.918 . . . . 0.0 111.56 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -64.53 -34.41 78.17 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 119.938 -1.727 . . . . 0.0 113.384 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.6 t -57.4 -51.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.746 0 CA-C-O 121.854 0.835 . . . . 0.0 109.571 170.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.46 -32.23 66.74 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 117.753 -3.092 . . . . 0.0 116.296 168.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.82 95.78 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.174 -1.811 . . . . 0.0 114.725 166.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -58.83 -43.5 90.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 118.923 0.783 . . . . 0.0 111.66 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mm -61.98 -36.83 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.038 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HA ' ' H ' ' A' ' 36' ' ' ILE . 32.2 tp60 -63.4 -48.81 76.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 125.384 1.677 . . . . 0.0 111.836 174.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -61.87 -43.65 98.41 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -88.49 -32.14 18.38 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 116.499 -1.715 . . . . 0.0 111.247 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -113.31 -4.93 13.61 Favored 'General case' 0 C--N 1.374 1.659 0 CA-C-O 115.073 -2.394 . . . . 0.0 115.059 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.23 58.15 13.83 Favored Glycine 0 C--O 1.192 -2.524 0 O-C-N 125.776 1.922 . . . . 0.0 110.786 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.454 ' H ' ' HA ' ' A' ' 31' ' ' GLN . 9.8 mt -128.45 112.78 19.49 Favored Pre-proline 0 CA--C 1.587 2.393 0 CA-C-N 118.236 1.018 . . . . 0.0 110.12 -172.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -35.01 117.59 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.679 0 C-N-CA 124.272 3.315 . . . . 0.0 116.307 174.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 9.8 Cg_endo -65.87 -27.99 50.98 Favored 'Trans proline' 0 CA--C 1.493 -1.537 0 O-C-N 122.804 0.897 . . . . 0.0 111.22 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.33 -23.14 57.23 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.899 -1.125 . . . . 0.0 111.048 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -91.21 -13.41 32.89 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -69.0 125.73 27.57 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.751 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -112.34 113.08 25.11 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 125.042 1.464 . . . . 0.0 111.835 162.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' A' ' 69' ' ' LEU . 50.8 mt -92.79 130.17 38.49 Favored 'General case' 0 C--O 1.25 1.111 0 CA-C-O 122.737 1.256 . . . . 0.0 109.332 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' C ' ' A' ' 43' ' ' LEU . 3.9 mm -118.55 128.89 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.176 -176.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -133.26 114.69 14.07 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.4 29.27 8.54 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -168.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.34 8.18 81.6 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-O 117.762 -1.577 . . . . 0.0 115.566 176.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -121.22 128.57 52.55 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.32 -3.585 . . . . 0.0 101.32 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.69 146.35 54.9 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.364 1.665 . . . . 0.0 111.365 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -112.41 149.12 32.98 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 125.065 1.478 . . . . 0.0 112.071 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -92.24 145.14 24.72 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 123.951 1.834 . . . . 0.0 115.583 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.91 -35.58 75.18 Favored 'General case' 0 C--N 1.372 1.575 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.36 -15.99 79.0 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.253 1.6 mpp_? -86.23 165.16 16.71 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 14.2 p -110.77 167.82 9.94 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.006 -1.906 . . . . 0.0 109.89 -176.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.16 -35.61 79.34 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 111.796 -2.456 . . . . 0.0 111.627 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 m -72.29 -26.93 62.16 Favored 'General case' 0 C--N 1.367 1.369 0 CA-C-O 114.406 -2.711 . . . . 0.0 110.241 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.17 -17.93 65.03 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-N 123.211 2.732 . . . . 0.0 112.636 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -112.11 11.91 20.46 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 116.728 -1.606 . . . . 0.0 113.28 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.6 m120 53.32 59.44 4.39 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 127.551 3.032 . . . . 0.0 114.134 -169.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -92.3 118.49 37.96 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.445 0 O-C-N 120.135 -1.603 . . . . 0.0 110.838 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -83.96 170.92 13.49 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 125.227 1.579 . . . . 0.0 112.135 171.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.712 3.149 . . . . 0.0 111.408 170.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 44.8 mt-10 81.77 14.75 0.53 Allowed 'General case' 0 C--O 1.259 1.597 0 C-N-CA 130.538 3.535 . . . . 0.0 108.587 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -68.07 142.53 55.81 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 117.554 -1.658 . . . . 0.0 111.065 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 m -98.28 117.8 33.49 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 113.58 -1.645 . . . . 0.0 114.889 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.67 166.35 11.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -129.75 144.75 51.45 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 124.843 1.257 . . . . 0.0 109.485 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 52.2 tp -123.34 134.83 53.98 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.776 1.751 . . . . 0.0 108.901 -171.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.427 -1.587 0 N-CA-C 101.754 -3.425 . . . . 0.0 101.754 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.198 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -93.93 137.23 33.38 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.742 0.782 . . . . 0.0 109.095 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.66 162.26 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 122.61 1.195 . . . . 0.0 108.105 166.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -107.63 145.09 33.78 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.381 -1.449 . . . . 0.0 110.083 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -123.23 112.7 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.894 0 O-C-N 120.828 -1.17 . . . . 0.0 109.686 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.94 124.94 34.71 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -80.21 166.68 21.18 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.93 -35.5 78.53 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 115.598 -2.144 . . . . 0.0 112.793 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -67.95 -32.01 72.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.101 2.16 . . . . 0.0 112.339 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.56 8.81 6.17 Favored Glycine 0 CA--C 1.502 -0.738 0 O-C-N 121.06 -1.025 . . . . 0.0 113.07 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -82.88 164.15 20.68 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.7 m -115.78 131.13 57.03 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mm -111.38 132.42 59.97 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-N 121.782 2.083 . . . . 0.0 108.717 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -100.55 134.85 42.9 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -150.8 157.58 43.11 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -93.57 134.06 36.24 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.156 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 164.91 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 CA-C-N 120.367 1.439 . . . . 0.0 111.136 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.63 166.98 12.19 Favored Pre-proline 0 CA--C 1.568 1.671 0 O-C-N 125.925 2.016 . . . . 0.0 106.969 171.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -67.38 -31.12 35.46 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 117.719 -1.054 . . . . 0.0 110.36 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 p -85.92 -0.7 56.1 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -73.06 148.95 43.57 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-O 125.079 2.371 . . . . 0.0 111.28 165.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 p -100.11 165.8 11.33 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 112.657 -2.065 . . . . 0.0 109.815 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.01 -32.7 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.224 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -50.35 -39.55 46.57 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 115.038 -2.41 . . . . 0.0 114.146 162.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -69.71 -32.04 70.41 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 123.71 2.959 . . . . 0.0 111.251 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.79 -46.25 94.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.68 -43.39 89.92 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.42 86.3 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.082 0.855 . . . . 0.0 113.01 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -64.08 -37.37 87.19 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.12 -36.55 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 119.578 -1.951 . . . . 0.0 111.67 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -46.96 -54.99 8.89 Favored 'General case' 0 C--N 1.394 2.513 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 167.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.258 30.3 m-20 -58.08 -51.16 70.85 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -62.37 -44.06 97.35 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 126.57 1.948 . . . . 0.0 115.122 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -120.6 -5.89 9.73 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 121.488 1.949 . . . . 0.0 112.786 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.63 52.36 30.43 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-O 117.006 -1.997 . . . . 0.0 116.918 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.33 114.34 31.88 Favored Pre-proline 0 CA--C 1.562 1.421 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -59.9 141.08 95.87 Favored 'Trans proline' 0 N--CA 1.508 2.34 0 N-CA-C 117.092 1.92 . . . . 0.0 117.092 -168.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -70.73 -21.4 29.03 Favored 'Trans proline' 0 C--N 1.296 -2.213 0 N-CA-C 117.732 2.166 . . . . 0.0 117.732 -170.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -77.77 -17.36 57.6 Favored 'General case' 0 C--O 1.264 1.844 0 CA-C-N 120.285 1.402 . . . . 0.0 112.047 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.86 -18.58 37.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.554 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -89.62 149.53 22.78 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 123.002 1.382 . . . . 0.0 111.66 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -148.74 142.87 25.99 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 167.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.274 62.1 mt -112.43 154.3 26.04 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 125.521 2.582 . . . . 0.0 112.982 -174.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -139.72 139.53 37.82 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 109.85 -3.341 . . . . 0.0 104.766 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -132.41 115.48 15.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 119.715 -1.865 . . . . 0.0 107.433 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.307 . . 65.37 33.6 8.85 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 120.865 3.654 . . . . 0.0 120.865 162.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.03 -6.58 37.21 Favored Glycine 0 C--N 1.362 1.989 0 CA-C-O 117.929 -1.484 . . . . 0.0 114.946 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.47 146.32 30.51 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.936 2.868 . . . . 0.0 113.996 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.39 154.47 41.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 119.565 -1.96 . . . . 0.0 112.635 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -121.09 132.68 55.02 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.607 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -74.79 144.48 43.51 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.057 1.343 . . . . 0.0 110.255 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -58.71 -40.72 84.5 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 -18.58 77.95 Favored Glycine 0 C--N 1.359 1.809 0 N-CA-C 118.525 2.17 . . . . 0.0 118.525 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -70.08 152.23 44.6 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.654 1.582 . . . . 0.0 114.053 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -95.39 166.45 11.87 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.54 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.79 -28.69 70.04 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.631 2.157 . . . . 0.0 115.429 173.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -75.75 -31.33 59.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.086 -1.416 . . . . 0.0 113.663 173.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 116.222 -1.847 . . . . 0.0 114.641 165.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -67.26 -27.43 67.2 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.786 167.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.257 35.4 m120 67.7 49.98 0.92 Allowed 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.692 1.133 . . . . 0.0 110.867 -167.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -89.5 113.62 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.187 0 CA-C-O 125.112 2.387 . . . . 0.0 112.208 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -64.65 155.8 32.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 111.577 -2.556 . . . . 0.0 113.384 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.97 155.8 5.92 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 172.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 39.7 mt-10 59.97 32.0 20.92 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.3 m -108.78 140.48 42.15 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 119.592 -1.942 . . . . 0.0 110.981 -163.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 84.7 m -95.77 108.78 21.14 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.759 -1.213 . . . . 0.0 113.433 -168.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.3 167.3 12.4 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.185 1.794 . . . . 0.0 106.477 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -123.04 157.46 32.73 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.849 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.3 tp -118.78 139.89 50.84 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 112.51 -2.132 . . . . 0.0 106.908 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.552 1.048 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 161.722 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 117.245 -1.36 . . . . 0.0 112.697 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -74.01 138.59 44.2 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 121.132 1.787 . . . . 0.0 111.17 171.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.71 172.68 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 165.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -124.02 143.6 50.33 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.3 t -134.58 121.77 36.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 O-C-N 119.807 -1.808 . . . . 0.0 107.539 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -73.15 125.93 28.86 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 p -86.21 -170.09 2.94 Favored 'General case' 0 N--CA 1.517 2.883 0 O-C-N 121.467 -0.771 . . . . 0.0 112.1 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.75 23.61 12.9 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-N 120.326 1.421 . . . . 0.0 113.475 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -115.84 4.77 13.97 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.47 1.508 . . . . 0.0 111.344 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.11 23.94 18.42 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -116.44 143.35 45.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.015 1.726 . . . . 0.0 115.107 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -106.92 111.11 23.46 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 168.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.73 142.66 13.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.0 m -108.25 124.69 50.7 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 123.41 2.823 . . . . 0.0 107.155 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.24 144.74 47.6 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 115.896 -2.002 . . . . 0.0 111.633 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.16 124.37 40.14 Favored 'General case' 0 N--CA 1.42 -1.925 0 O-C-N 127.135 2.772 . . . . 0.0 108.039 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.17 164.53 27.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -96.3 158.43 33.93 Favored Pre-proline 0 CA--C 1.573 1.858 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 164.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -67.92 -27.92 36.32 Favored 'Trans proline' 0 C--N 1.288 -2.645 0 CA-C-O 116.299 -1.626 . . . . 0.0 113.618 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 p -85.28 16.55 3.56 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.647 2.021 . . . . 0.0 115.467 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.25 143.58 45.03 Favored 'General case' 0 CA--C 1.573 1.829 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 167.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 55' ' ' THR 0.265 77.5 p -76.65 163.58 26.72 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 120.914 -1.117 . . . . 0.0 112.52 171.371 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.98 -40.09 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 O-C-N 124.326 1.016 . . . . 0.0 112.633 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -37.74 -45.88 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 160.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -70.03 -21.61 63.17 Favored 'General case' 0 CA--C 1.457 -2.599 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.47 -45.72 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 CA-C-N 118.025 0.375 . . . . 0.0 110.735 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -59.04 -37.77 77.75 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.58 76.34 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 124.392 1.077 . . . . 0.0 113.405 173.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -69.04 -39.42 79.2 Favored 'General case' 0 C--O 1.194 -1.866 0 C-N-CA 117.821 -1.552 . . . . 0.0 109.925 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.43 -38.25 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 119.331 -2.106 . . . . 0.0 116.676 170.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -56.53 -47.81 78.6 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 121.281 1.855 . . . . 0.0 112.857 164.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.05 -44.07 97.94 Favored 'General case' 0 CA--C 1.576 1.953 0 C-N-CA 117.678 -1.609 . . . . 0.0 111.798 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -81.35 -34.6 31.67 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-O 114.572 -2.632 . . . . 0.0 117.773 -171.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -127.18 -4.32 6.2 Favored 'General case' 0 N--CA 1.527 3.416 0 CA-C-N 122.449 2.386 . . . . 0.0 110.396 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.71 8.8 82.29 Favored Glycine 0 N--CA 1.483 1.775 0 C-N-CA 123.626 0.631 . . . . 0.0 114.272 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.1 mt -83.94 126.13 71.16 Favored Pre-proline 0 N--CA 1.41 -2.465 0 CA-C-O 123.357 1.551 . . . . 0.0 108.637 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.66 142.1 62.17 Favored 'Trans proline' 0 C--N 1.262 -3.978 0 O-C-N 116.534 -2.403 . . . . 0.0 117.965 174.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.97 -27.42 58.26 Favored 'Trans proline' 0 N--CA 1.526 3.43 0 C-N-CA 123.158 2.572 . . . . 0.0 111.391 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -85.13 -22.14 28.97 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -90.7 5.28 48.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 124.926 1.391 . . . . 0.0 111.407 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -133.34 158.32 43.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 118.841 -2.412 . . . . 0.0 108.628 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -132.4 146.64 52.1 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 127.145 2.778 . . . . 0.0 109.035 170.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 mt -109.04 137.39 47.02 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 118.535 -2.603 . . . . 0.0 110.427 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 22.5 mm -121.23 150.61 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 N-CA-C 103.854 -2.646 . . . . 0.0 103.854 -169.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -141.39 136.26 31.24 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 104.33 -2.47 . . . . 0.0 104.33 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.86 1.21 Allowed 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.152 -1.592 . . . . 0.0 114.704 173.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 -4.45 65.34 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-O 116.604 -2.22 . . . . 0.0 116.062 -167.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -115.61 146.92 41.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -165.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -109.78 130.44 55.52 Favored 'General case' 0 CA--C 1.5 -0.95 0 O-C-N 119.953 -1.717 . . . . 0.0 106.798 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD22 ' CG ' ' A' ' 59' ' ' TYR . 26.0 mt -95.69 139.56 31.76 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 123.699 1.714 . . . . 0.0 113.792 -172.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -72.29 128.53 35.94 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.179 0.99 . . . . 0.0 113.179 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.75 -45.91 70.72 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 110.259 -3.155 . . . . 0.0 119.01 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -1.79 80.49 Favored Glycine 0 N--CA 1.483 1.784 0 CA-C-O 117.923 -1.487 . . . . 0.0 114.444 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -88.55 -179.92 6.15 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 118.402 1.101 . . . . 0.0 109.079 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 45.6 p -114.04 161.39 17.78 Favored 'General case' 0 CA--C 1.467 -2.246 0 C-N-CA 117.557 -1.657 . . . . 0.0 108.822 -171.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.56 -36.65 81.23 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 112.468 -2.151 . . . . 0.0 109.472 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -60.23 -43.12 96.3 Favored 'General case' 0 C--O 1.27 2.136 0 O-C-N 125.566 1.791 . . . . 0.0 109.317 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.82 -37.17 86.72 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 118.458 -2.651 . . . . 0.0 113.468 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CG ' HD22 ' A' ' 50' ' ' LEU . 45.1 m-85 -91.91 8.24 38.32 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 118.499 -2.626 . . . . 0.0 110.061 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 64.42 32.74 11.72 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 124.633 1.173 . . . . 0.0 110.604 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm -76.88 114.44 17.25 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 CA-C-O 124.019 1.866 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.58 161.61 13.58 Favored 'General case' 0 CA--C 1.557 1.231 0 O-C-N 118.571 -2.581 . . . . 0.0 110.164 -175.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -25.63 125.35 0.05 Allowed 'General case' 0 C--N 1.4 2.787 0 C-N-CA 126.845 2.058 . . . . 0.0 115.239 164.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.378 88.9 mt-10 72.97 21.85 3.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.932 2.093 . . . . 0.0 112.941 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.9 m -73.81 148.4 42.5 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-O 117.461 -1.257 . . . . 0.0 108.69 173.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.0 m -102.47 118.59 37.18 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 127.04 2.712 . . . . 0.0 106.959 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.8 mt -105.67 162.69 13.3 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -133.83 155.26 50.15 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tt -101.06 146.78 27.0 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 126.845 2.591 . . . . 0.0 108.172 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.198 -1.623 0 CA-C-O 116.245 -1.836 . . . . 0.0 110.351 167.124 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.728 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.482 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -101.55 138.0 39.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.699 0.681 . . . . 0.0 112.232 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -123.03 171.95 11.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 165.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.01 151.95 35.68 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.35 136.62 59.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 122.573 1.178 . . . . 0.0 109.006 165.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -94.3 125.57 39.03 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 114.111 -1.404 . . . . 0.0 110.709 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -92.66 169.57 10.4 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 119.784 1.175 . . . . 0.0 109.711 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.0 mt -61.83 -39.95 93.59 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 125.193 1.397 . . . . 0.0 110.865 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -69.75 -8.66 49.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.053 -1.885 . . . . 0.0 112.977 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.14 27.21 37.78 Favored Glycine 0 CA--C 1.558 2.731 0 CA-C-O 117.68 -1.622 . . . . 0.0 115.988 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -97.24 132.78 42.66 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 119.13 1.465 . . . . 0.0 109.278 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -91.73 110.32 21.66 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.423 1.106 . . . . 0.0 108.146 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.8 pt -109.26 150.27 12.03 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.557 -173.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 m -120.27 121.88 39.65 Favored 'General case' 0 C--N 1.385 2.11 0 CA-C-O 122.504 1.145 . . . . 0.0 111.366 -167.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 mt -119.3 129.76 55.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.634 -2.075 . . . . 0.0 105.469 -163.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -108.72 127.46 54.01 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -153.93 165.06 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 124.202 1.001 . . . . 0.0 109.176 -161.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -113.79 152.57 45.69 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 102.462 -3.162 . . . . 0.0 102.462 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -81.61 -1.03 10.77 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 CA-C-N 120.689 1.282 . . . . 0.0 113.416 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -16.74 28.84 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.098 -1.001 . . . . 0.0 110.162 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -55.5 139.88 42.32 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.521 0.329 . . . . 0.0 111.498 174.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 41.3 p -77.8 162.44 26.9 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 121.383 -0.823 . . . . 0.0 111.528 173.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.98 -36.71 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.63 -36.09 71.36 Favored 'General case' 0 C--O 1.269 2.129 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 168.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -69.68 -33.25 72.29 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 119.854 1.207 . . . . 0.0 109.28 170.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.287 39.5 t -62.33 -42.68 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 113.382 -1.735 . . . . 0.0 109.698 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -65.78 -29.26 69.73 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 112.798 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.9 79.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.466 1.104 . . . . 0.0 112.318 171.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -63.25 -33.07 74.71 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 119.23 -2.169 . . . . 0.0 112.565 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.92 -35.6 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.886 -0.509 . . . . 0.0 111.145 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -44.2 96.53 Favored 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 117.077 -1.439 . . . . 0.0 111.693 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -56.31 -49.69 73.57 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.424 1.465 . . . . 0.0 109.659 169.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -83.75 -38.24 21.62 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.75 10.16 8.96 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.86 68.91 Favored Glycine 0 N--CA 1.467 0.741 0 CA-C-N 114.172 -1.376 . . . . 0.0 114.462 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.1 mt -91.63 129.56 42.19 Favored Pre-proline 0 C--O 1.164 -3.407 0 CA-C-N 119.51 1.655 . . . . 0.0 109.856 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -51.08 122.29 9.73 Favored 'Trans proline' 0 N--CA 1.527 3.456 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 166.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -63.7 -35.13 59.68 Favored 'Trans proline' 1 N--CA 1.537 4.076 0 N-CA-C 117.784 2.186 . . . . 0.0 117.784 -172.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.43 -40.47 1.77 Allowed 'General case' 0 C--O 1.266 1.928 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 162.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -76.31 -14.03 60.12 Favored 'General case' 0 CA--C 1.576 1.972 0 O-C-N 117.595 -3.191 . . . . 0.0 113.266 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -85.12 123.41 30.61 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.188 1.947 . . . . 0.0 113.592 -158.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -118.29 107.86 14.41 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 118.107 -2.87 . . . . 0.0 105.936 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -95.34 119.94 34.71 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.1 mm -111.65 124.29 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.544 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -124.87 135.18 52.66 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 102.737 -3.061 . . . . 0.0 102.737 175.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.18 29.94 19.44 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 170.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.29 7.59 82.63 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 115.907 1.123 . . . . 0.0 115.907 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -148.55 140.72 24.05 Favored 'General case' 0 CA--C 1.567 1.632 0 CA-C-O 126.247 2.927 . . . . 0.0 112.934 -172.666 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.66 151.33 47.58 Favored 'General case' 0 CA--C 1.566 1.593 0 O-C-N 117.051 -3.531 . . . . 0.0 110.084 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.99 141.58 30.77 Favored 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.36 123.17 20.49 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.921 0.867 . . . . 0.0 109.753 168.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.36 -44.86 95.19 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -164.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.48 -7.65 53.7 Favored Glycine 0 N--CA 1.487 2.099 0 C-N-CA 126.691 2.091 . . . . 0.0 116.376 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -90.41 172.86 8.44 Favored 'General case' 0 N--CA 1.414 -2.252 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 63.9 p -104.67 164.53 11.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.336 1.454 . . . . 0.0 112.772 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.12 -34.98 72.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.061 1.344 . . . . 0.0 111.038 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -67.52 -33.3 74.79 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.197 -2.19 . . . . 0.0 110.596 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.82 -28.89 69.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.78 1.3 . . . . 0.0 113.72 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.22 10.16 41.97 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 119.328 -2.108 . . . . 0.0 112.038 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.4 m120 69.1 30.63 4.33 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 125.468 1.73 . . . . 0.0 113.179 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -82.97 107.61 14.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 O-C-N 120.839 -1.163 . . . . 0.0 107.915 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -115.17 166.31 11.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 124.291 1.996 . . . . 0.0 110.578 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.253 36.8 pttt -33.34 139.2 0.06 Allowed 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 112.212 -2.267 . . . . 0.0 114.257 -173.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 71.25 11.47 6.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -65.66 150.54 48.3 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.382 168.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.2 m -114.89 113.91 24.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mp -95.43 158.29 15.52 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -105.88 131.11 53.6 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.784 -1.823 . . . . 0.0 106.765 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -104.99 109.56 21.6 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 102.937 -2.986 . . . . 0.0 102.937 173.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 CA--C 1.57 1.74 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.214 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ptt? . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 113.807 -2.997 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -90.81 149.57 21.92 Favored 'General case' 0 CA--C 1.552 1.023 0 O-C-N 127.022 2.701 . . . . 0.0 114.357 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 pt -139.06 159.87 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 163.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -122.09 124.82 44.82 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 118.958 -1.097 . . . . 0.0 112.489 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.4 124.0 65.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -114.39 124.43 51.93 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 119.143 -2.223 . . . . 0.0 107.313 -174.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -67.31 162.24 23.24 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 117.214 -1.374 . . . . 0.0 112.2 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.8 -42.62 89.54 Favored 'General case' 0 C--N 1.386 2.163 0 O-C-N 126.392 2.308 . . . . 0.0 112.066 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -72.57 -30.36 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.168 -1.583 . . . . 0.0 114.759 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.57 -12.03 4.3 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 119.812 2.685 . . . . 0.0 119.812 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -57.93 146.37 32.49 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.255 1.026 . . . . 0.0 108.425 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -120.51 116.26 25.06 Favored 'General case' 0 C--O 1.2 -1.541 0 O-C-N 119.332 -2.105 . . . . 0.0 107.945 -171.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.77 121.74 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 126.016 1.726 . . . . 0.0 108.422 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -93.66 130.48 39.58 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 119.975 -1.703 . . . . 0.0 107.122 176.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -119.46 123.4 43.96 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 173.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -74.38 127.36 32.82 Favored 'General case' 0 C--O 1.254 1.318 0 O-C-N 125.295 1.622 . . . . 0.0 111.075 157.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.53 165.91 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.416 0 CA-C-N 113.692 -1.595 . . . . 0.0 109.922 -171.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -106.57 161.36 23.12 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 112.907 -1.951 . . . . 0.0 112.058 171.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -72.1 -13.91 28.76 Favored 'Trans proline' 0 N--CA 1.507 2.319 0 CA-C-N 122.637 1.977 . . . . 0.0 113.329 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -95.91 8.78 42.68 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 125.981 2.051 . . . . 0.0 110.648 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -75.66 135.24 40.45 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 120.042 -1.661 . . . . 0.0 111.82 166.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 20.7 p -82.93 163.67 20.93 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-O 127.423 3.487 . . . . 0.0 113.649 -177.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.77 -45.2 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 115.006 -2.426 . . . . 0.0 108.317 169.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.82 -40.38 41.77 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 121.011 1.732 . . . . 0.0 114.142 168.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -65.22 -45.84 83.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.905 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.578 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -57.36 -40.22 77.61 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.59 86.31 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.58 -38.56 84.99 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 126.288 2.242 . . . . 0.0 114.481 165.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.16 -40.65 87.6 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 119.904 -1.747 . . . . 0.0 111.247 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -56.42 -42.88 78.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 126.45 2.344 . . . . 0.0 111.416 170.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -63.91 -47.63 79.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 116.766 -1.588 . . . . 0.0 113.859 169.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -69.64 -51.41 35.11 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 120.775 1.625 . . . . 0.0 114.635 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -122.48 -6.36 8.71 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.113 1.324 . . . . 0.0 112.881 -164.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.93 33.41 41.49 Favored Glycine 0 C--N 1.369 2.371 0 CA-C-O 117.021 -1.989 . . . . 0.0 114.878 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -100.1 123.11 48.16 Favored Pre-proline 0 C--N 1.402 2.884 0 CA-C-N 121.167 2.484 . . . . 0.0 106.959 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -52.99 140.32 59.43 Favored 'Trans proline' 0 CA--C 1.573 2.449 0 O-C-N 124.273 1.67 . . . . 0.0 116.353 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -51.15 -38.41 60.47 Favored 'Trans proline' 0 N--CA 1.507 2.295 0 N-CA-C 118.237 2.36 . . . . 0.0 118.237 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -84.39 0.86 47.79 Favored 'General case' 0 C--N 1.309 -1.18 0 O-C-N 126.266 2.229 . . . . 0.0 110.372 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -107.19 30.14 6.48 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 121.368 -0.832 . . . . 0.0 112.005 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -135.51 152.79 51.66 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-O 124.795 2.236 . . . . 0.0 110.071 -172.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -140.91 146.19 37.09 Favored 'General case' 0 N--CA 1.394 -3.229 0 N-CA-C 104.716 -2.327 . . . . 0.0 104.716 162.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt -123.36 119.12 29.15 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mt -104.27 155.91 5.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 124.825 1.328 . . . . 0.0 110.229 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -157.73 115.26 3.02 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -176.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 7.53 96.33 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 128.99 2.916 . . . . 0.0 117.878 -169.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.97 -9.5 52.84 Favored Glycine 0 C--N 1.363 2.03 0 CA-C-O 117.084 -1.953 . . . . 0.0 115.665 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -139.33 125.16 19.64 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-O 125.281 2.467 . . . . 0.0 114.0 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.73 135.81 50.23 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 119.599 -1.938 . . . . 0.0 108.691 165.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.4 131.65 47.38 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 125.385 2.517 . . . . 0.0 116.165 -170.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.453 ' CD ' HH21 ' A' ' 54' ' ' ARG . 50.9 mt-10 -66.13 143.2 57.44 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 129.001 2.921 . . . . 0.0 117.035 171.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.79 -38.46 80.01 Favored 'General case' 0 CA--C 1.49 -1.352 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.276 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.43 22.66 39.61 Favored Glycine 0 C--O 1.206 -1.624 0 O-C-N 123.422 0.451 . . . . 0.0 111.981 -161.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.453 HH21 ' CD ' ' A' ' 51' ' ' GLU . 30.9 mmt180 -105.82 150.01 25.97 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 174.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 73.0 p -82.95 165.87 19.34 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.272 -0.892 . . . . 0.0 113.314 161.085 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.55 -36.02 79.43 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.745 0.783 . . . . 0.0 111.415 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 t -63.78 -36.77 84.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 118.624 -2.547 . . . . 0.0 114.202 167.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -62.33 -33.96 75.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.335 1.425 . . . . 0.0 111.826 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -90.04 -4.27 57.49 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.368 2.4 m120 78.3 38.11 0.18 Allowed 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.968 173.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.8 mm -72.54 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 CA-C-O 124.21 1.957 . . . . 0.0 109.563 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -104.06 164.32 11.79 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.628 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -69.86 131.8 45.02 Favored 'General case' 0 CA--C 1.573 1.856 0 CA-C-O 126.429 3.014 . . . . 0.0 113.322 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.287 25.4 mt-10 83.5 23.05 0.14 Allowed 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 112.342 -2.208 . . . . 0.0 113.25 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 m -68.26 137.64 54.89 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -98.99 126.66 44.74 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.337 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 mp -133.75 153.83 51.42 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 125.455 1.722 . . . . 0.0 108.213 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -120.84 128.59 52.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 118.241 -1.384 . . . . 0.0 112.997 -161.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.3 124.21 36.2 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 117.887 -1.525 . . . . 0.0 108.734 -175.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 167.464 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.6 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.024 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -79.87 138.61 37.21 Favored 'General case' 0 C--N 1.38 1.911 0 CA-C-O 123.436 1.589 . . . . 0.0 114.101 -173.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.629 HG22 ' HB2' ' A' ' 65' ' ' SER . 43.5 pt -133.59 141.85 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 O-C-N 118.497 -2.627 . . . . 0.0 109.524 165.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -98.37 115.0 27.54 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 124.883 1.273 . . . . 0.0 108.797 -172.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -96.09 133.6 36.71 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -105.6 121.76 44.65 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -71.5 167.82 18.87 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 117.552 -3.218 . . . . 0.0 110.84 162.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.52 -36.58 84.24 Favored 'General case' 0 C--N 1.373 1.597 0 O-C-N 126.185 2.178 . . . . 0.0 107.391 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -100.7 11.88 38.62 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.55 9.89 28.12 Favored Glycine 0 C--N 1.285 -2.294 0 CA-C-O 117.3 -1.833 . . . . 0.0 114.239 159.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -76.85 136.81 38.91 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 121.917 2.859 . . . . 0.0 107.787 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -91.56 127.34 36.97 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 127.371 2.919 . . . . 0.0 107.18 172.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -120.32 127.27 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.43 0 N-CA-C 103.089 -2.93 . . . . 0.0 103.089 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -119.27 123.74 44.98 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 126.86 2.064 . . . . 0.0 109.475 -168.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 30' ' ' ILE . 16.0 mt -117.14 156.88 26.88 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 127.672 3.108 . . . . 0.0 111.665 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -109.16 115.98 31.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 128.132 2.573 . . . . 0.0 104.332 172.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -132.91 -171.98 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -143.31 157.23 60.25 Favored Pre-proline 0 CA--C 1.57 1.72 0 O-C-N 117.624 -3.172 . . . . 0.0 106.114 167.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -70.4 -7.89 22.31 Favored 'Trans proline' 0 N--CA 1.513 2.623 0 CA-C-N 120.477 1.206 . . . . 0.0 114.334 -168.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -92.01 0.86 57.47 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.668 1.587 . . . . 0.0 112.566 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -74.36 150.85 39.89 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.082 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 p -102.68 170.9 7.74 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.56 -33.39 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.719 0 CA-C-O 116.48 -1.724 . . . . 0.0 114.695 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -53.4 -40.24 64.92 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.686 169.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.98 -30.55 71.54 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 117.064 -1.446 . . . . 0.0 114.298 169.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -76.99 -33.71 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 121.369 1.895 . . . . 0.0 106.999 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -63.65 -40.59 97.23 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 118.651 -2.53 . . . . 0.0 111.343 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.88 78.52 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 124.989 1.316 . . . . 0.0 113.111 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.93 -36.95 85.1 Favored 'General case' 0 C--N 1.362 1.12 0 CA-C-N 118.987 0.812 . . . . 0.0 112.518 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.409 HG13 HD11 ' A' ' 15' ' ' LEU . 67.5 mt -69.95 -43.39 79.47 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.976 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -56.96 -42.81 80.82 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 120.528 1.513 . . . . 0.0 112.885 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.267 3.4 t0 -59.79 -46.32 89.58 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.88 -1.137 . . . . 0.0 113.48 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -69.51 -51.51 35.11 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 169.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -121.93 5.98 9.86 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -163.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.92 9.66 86.9 Favored Glycine 0 CA--C 1.551 2.327 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mm -84.53 121.38 74.92 Favored Pre-proline 0 N--CA 1.508 2.454 0 CA-C-N 119.042 1.421 . . . . 0.0 112.035 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 7.9 Cg_exo -62.79 123.79 12.93 Favored 'Trans proline' 0 N--CA 1.517 2.873 0 C-N-CA 123.399 2.733 . . . . 0.0 114.838 -174.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 80.6 Cg_exo -51.14 -38.41 60.4 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 123.261 2.641 . . . . 0.0 115.51 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -59.43 -40.43 86.73 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 122.592 1.187 . . . . 0.0 111.804 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -88.13 -24.45 23.37 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 126.16 1.784 . . . . 0.0 112.993 -168.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.68 140.77 46.1 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -137.57 116.18 12.1 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.3 mt -112.0 126.65 55.37 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.127 -173.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.58 134.86 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.903 0 C-N-CA 125.254 1.422 . . . . 0.0 109.536 -172.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -141.73 120.49 12.65 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.31 39.54 28.4 Favored 'General case' 0 N--CA 1.516 2.846 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -165.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.0 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 117.395 1.718 . . . . 0.0 117.395 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -144.84 159.69 42.48 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.275 2.537 . . . . 0.0 108.552 172.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -51.74 159.86 0.74 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 131.315 3.846 . . . . 0.0 117.866 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -126.66 131.03 51.52 Favored 'General case' 0 N--CA 1.514 2.756 0 O-C-N 126.258 2.224 . . . . 0.0 106.502 -168.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.11 129.97 35.07 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.197 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.94 -33.67 57.47 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 113.388 -1.733 . . . . 0.0 110.852 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.41 85.85 Favored Glycine 0 C--N 1.293 -1.86 0 N-CA-C 118.289 2.076 . . . . 0.0 118.289 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -98.1 139.19 34.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.212 -1.169 . . . . 0.0 111.57 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -73.79 158.67 34.15 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.508 168.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.15 -26.41 65.75 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.844 2.457 . . . . 0.0 111.255 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.7 p -78.75 -18.78 53.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.97 1.471 . . . . 0.0 114.97 175.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.84 -35.41 76.91 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -89.32 -14.18 36.29 Favored 'General case' 0 C--O 1.185 -2.299 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.314 -177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 67.97 40.33 2.32 Favored 'General case' 0 N--CA 1.509 2.495 0 C-N-CA 127.13 2.172 . . . . 0.0 112.992 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.507 HD11 HD21 ' A' ' 67' ' ' LEU 0.277 4.5 mt -59.58 138.36 20.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 CA-C-O 122.111 0.957 . . . . 0.0 111.344 161.542 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -136.25 -177.58 4.77 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 113.184 -1.825 . . . . 0.0 108.19 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -58.82 125.7 24.61 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.213 2.672 . . . . 0.0 118.213 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 78.23 18.21 1.12 Allowed 'General case' 0 C--N 1.362 1.116 0 O-C-N 118.978 -2.326 . . . . 0.0 112.187 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.629 ' HB2' HG22 ' A' ' 3' ' ' ILE 0.292 22.0 m -63.67 139.56 58.78 Favored 'General case' 0 CA--C 1.463 -2.375 0 CA-C-O 117.367 -1.301 . . . . 0.0 111.843 166.398 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -117.25 114.11 23.16 Favored 'General case' 0 C--N 1.384 2.088 0 O-C-N 126.964 2.665 . . . . 0.0 112.89 -171.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.507 HD21 HD11 ' A' ' 61' ' ' ILE . 64.5 mt -105.32 153.46 21.59 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-O 115.261 -2.304 . . . . 0.0 108.398 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -116.55 124.24 49.38 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 125.615 1.822 . . . . 0.0 107.607 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -90.42 147.33 23.5 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-O 123.741 1.734 . . . . 0.0 110.707 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 -179.115 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.516 2.869 0 CA-C-O 120.348 0.118 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -79.94 143.85 33.84 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.07 134.55 66.25 Favored 'Isoleucine or valine' 0 C--N 1.373 1.607 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 162.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -100.52 118.36 36.55 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.32 133.18 66.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 122.747 1.261 . . . . 0.0 110.425 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -99.67 121.48 41.3 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.219 -173.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.5 p -81.6 165.0 21.48 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 124.075 1.893 . . . . 0.0 111.497 173.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -57.15 -42.88 81.84 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 112.558 -2.11 . . . . 0.0 115.89 168.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -8.26 2.2 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 169.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.7 22.33 26.42 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 117.454 1.742 . . . . 0.0 117.454 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -105.33 140.08 39.0 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 118.759 -2.613 . . . . 0.0 112.125 -170.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -79.58 110.96 15.39 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.039 -1.064 . . . . 0.0 110.461 167.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.5 mm -102.22 132.84 47.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 m -77.31 123.54 26.62 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD11 ' HB ' ' A' ' 30' ' ' ILE . 44.0 mt -113.58 129.28 56.59 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 118.571 -1.251 . . . . 0.0 113.151 171.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -102.65 112.66 25.53 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.45 147.26 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.116 -163.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -86.4 153.96 56.5 Favored Pre-proline 0 N--CA 1.475 0.802 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.32 -19.84 61.89 Favored 'Trans proline' 0 N--CA 1.515 2.782 0 N-CA-C 108.93 -1.219 . . . . 0.0 108.93 -175.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -91.27 17.11 8.74 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 119.474 -2.016 . . . . 0.0 113.799 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.34 139.71 30.23 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-O 124.2 1.952 . . . . 0.0 111.559 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -70.02 154.26 42.17 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 124.411 2.053 . . . . 0.0 115.724 172.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -63.8 -31.19 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 O-C-N 118.457 -2.652 . . . . 0.0 113.509 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.09 -53.21 28.77 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-O 124.387 2.041 . . . . 0.0 113.061 163.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . 0.293 39.6 t-20 -58.51 -44.93 89.64 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 114.226 -1.352 . . . . 0.0 113.254 172.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -59.98 -42.78 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.643 0 O-C-N 119.996 -1.69 . . . . 0.0 111.377 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -60.09 -35.45 75.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 126.669 2.481 . . . . 0.0 117.412 163.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.36 64.56 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-O 117.388 -1.292 . . . . 0.0 108.858 174.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -68.92 -30.71 69.23 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 124.056 0.847 . . . . 0.0 111.977 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.524 ' HB ' HD11 ' A' ' 15' ' ' LEU . 18.9 tt -91.69 -15.95 8.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 118.406 -2.684 . . . . 0.0 107.404 -175.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.25 18.4 tt0 -64.31 -45.04 89.67 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 124.667 1.187 . . . . 0.0 112.485 162.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -57.38 -51.99 67.17 Favored 'General case' 0 C--N 1.364 1.219 0 O-C-N 125.185 1.553 . . . . 0.0 110.99 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -60.37 -55.56 32.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.57 -1.956 . . . . 0.0 115.83 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -124.41 -18.85 5.64 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.815 0.816 . . . . 0.0 112.696 -160.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.5 30.77 20.85 Favored Glycine 0 C--N 1.364 2.086 0 O-C-N 120.35 -1.469 . . . . 0.0 114.824 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.9 pp -71.96 150.55 92.74 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 115.225 -2.321 . . . . 0.0 109.211 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.428 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 86.0 Cg_endo -88.42 108.41 0.54 Allowed 'Trans proline' 0 C--N 1.282 -2.963 0 CA-C-O 112.704 -3.124 . . . . 0.0 116.903 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 6.6 Cg_exo -43.68 -53.76 4.2 Favored 'Trans proline' 0 N--CA 1.523 3.221 1 C-N-CA 125.407 4.072 . . . . 0.0 118.174 -178.689 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.62 -31.68 69.72 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 125.167 1.542 . . . . 0.0 113.968 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -78.45 -15.38 58.7 Favored 'General case' 0 C--N 1.367 1.352 0 O-C-N 119.551 -1.968 . . . . 0.0 114.727 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -123.92 120.59 32.98 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -166.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -100.11 120.52 39.98 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.774 2.03 . . . . 0.0 108.8 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.7 tp -78.54 128.93 34.23 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.934 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.92 141.2 20.07 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 119.959 -1.713 . . . . 0.0 108.696 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.68 139.29 49.02 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.541 2.4 . . . . 0.0 109.944 159.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.316 . . 40.18 55.61 2.68 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 125.29 1.436 . . . . 0.0 114.135 -176.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.93 -1.02 18.57 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 118.336 2.094 . . . . 0.0 118.336 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -121.59 127.47 50.94 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 118.796 1.298 . . . . 0.0 109.053 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.56 132.97 55.59 Favored 'General case' 0 N--CA 1.513 2.707 0 C-N-CA 125.671 1.589 . . . . 0.0 112.19 170.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.34 122.08 44.71 Favored 'General case' 0 N--CA 1.514 2.733 0 CA-C-O 116.8 -1.572 . . . . 0.0 109.806 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.4 140.97 57.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 125.633 1.833 . . . . 0.0 114.038 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.91 -39.66 90.2 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 123.566 1.65 . . . . 0.0 113.107 -171.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.78 -24.56 62.54 Favored Glycine 0 C--N 1.37 2.463 0 N-CA-C 119.723 2.649 . . . . 0.0 119.723 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -95.42 149.8 20.99 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.422 1.489 . . . . 0.0 113.089 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 p -77.55 167.61 21.33 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 117.745 -1.582 . . . . 0.0 113.323 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.77 -45.09 94.31 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.703 1.601 . . . . 0.0 111.27 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -66.29 -41.57 89.6 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 128.008 3.318 . . . . 0.0 110.828 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.86 -44.68 86.72 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 119.714 1.143 . . . . 0.0 112.452 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -81.34 -7.27 59.55 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.653 1.581 . . . . 0.0 114.445 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 68.52 36.94 2.74 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.869 1.667 . . . . 0.0 112.686 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.6 mm -85.15 131.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.371 1.511 0 C-N-CA 124.323 1.049 . . . . 0.0 110.175 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -111.49 159.01 18.49 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 125.633 1.833 . . . . 0.0 110.2 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.01 146.77 31.56 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-N 111.455 -2.611 . . . . 0.0 113.235 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.304 39.2 mt-10 77.35 0.33 2.94 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.6 m -82.63 148.56 27.91 Favored 'General case' 0 CA--C 1.564 1.493 0 CA-C-O 123.512 1.625 . . . . 0.0 110.104 173.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.0 m -109.08 128.96 55.43 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -165.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mp -127.15 158.73 36.27 Favored 'General case' 0 C--O 1.196 -1.743 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -132.53 115.24 15.23 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.4 -2.063 . . . . 0.0 110.76 -166.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.23 140.27 57.11 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.933 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 CA--C 1.557 1.241 0 CA-C-N 119.462 1.028 . . . . 0.0 109.297 173.768 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.543 0.687 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.59 140.5 29.48 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-O 121.867 0.841 . . . . 0.0 110.288 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.1 168.92 21.48 Favored 'Isoleucine or valine' 0 C--N 1.374 1.633 0 O-C-N 120.124 -1.61 . . . . 0.0 109.18 159.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -113.41 143.88 43.73 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.65 111.84 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 173.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -105.06 112.41 25.53 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.212 -0.93 . . . . 0.0 109.618 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -66.6 147.69 52.93 Favored 'General case' 0 C--N 1.37 1.465 0 CA-C-O 122.581 1.182 . . . . 0.0 112.328 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 8' ' ' LEU . 13.1 tp -62.76 -11.6 18.67 Favored 'General case' 0 N--CA 1.504 2.266 0 CA-C-O 121.964 0.887 . . . . 0.0 111.952 174.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.6 p -86.83 -8.96 56.83 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.066 -1.647 . . . . 0.0 114.452 169.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.96 32.52 6.14 Favored Glycine 0 C--O 1.256 1.526 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 172.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -117.45 123.2 45.8 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-O 122.378 1.085 . . . . 0.0 111.217 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.9 m -97.75 107.08 19.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -172.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mm -92.51 128.03 44.33 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 125.973 2.046 . . . . 0.0 110.365 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.4 p -76.06 120.17 21.0 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 126.47 2.356 . . . . 0.0 112.822 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 tp -129.57 151.03 50.63 Favored 'General case' 0 C--N 1.401 2.817 0 O-C-N 119.684 -1.885 . . . . 0.0 111.468 174.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -114.51 123.53 49.62 Favored 'General case' 0 C--N 1.375 1.706 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.06 165.29 28.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 125.512 1.525 . . . . 0.0 109.575 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -105.29 163.49 17.03 Favored Pre-proline 0 CA--C 1.557 1.248 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.26 -23.87 15.06 Favored 'Trans proline' 0 N--CA 1.506 2.228 0 C-N-CA 121.419 1.413 . . . . 0.0 113.279 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 p -81.01 -0.51 39.97 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 171.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -66.91 146.7 54.11 Favored 'General case' 0 C--N 1.378 1.839 0 CA-C-N 119.787 1.176 . . . . 0.0 111.261 171.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 45.6 p -96.25 162.86 13.33 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 126.934 2.646 . . . . 0.0 108.903 172.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.404 HG13 ' HB3' ' A' ' 50' ' ' LEU . 19.4 mm -60.92 -38.14 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 113.808 -1.542 . . . . 0.0 114.547 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -58.62 -36.69 74.46 Favored 'General case' 0 C--O 1.272 2.279 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 160.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.44 -43.19 97.09 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 120.806 1.639 . . . . 0.0 112.546 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.04 -39.25 81.62 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 123.565 1.65 . . . . 0.0 113.793 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.96 -39.22 88.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 118.588 -2.57 . . . . 0.0 112.349 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.91 41.79 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -76.21 -36.22 58.7 Favored 'General case' 0 N--CA 1.415 -2.222 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.42 -43.4 90.35 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 165.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -59.77 -32.82 70.95 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 118.559 2.799 . . . . 0.0 118.559 171.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.91 -47.93 75.99 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.406 161.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 20.6 tptp -62.86 -46.91 85.69 Favored 'General case' 0 C--O 1.25 1.122 0 C-N-CA 118.257 -1.377 . . . . 0.0 114.431 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' HG2' ' HG3' ' A' ' 33' ' ' LYS . 63.8 mm-40 -135.16 -11.0 2.23 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 125.615 1.822 . . . . 0.0 111.9 -158.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 24.38 61.56 Favored Glycine 0 CA--C 1.544 1.88 0 N-CA-C 116.945 1.538 . . . . 0.0 116.945 174.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.7 mt -92.14 124.65 59.22 Favored Pre-proline 0 C--O 1.218 -0.597 0 CA-C-O 112.111 -3.804 . . . . 0.0 108.038 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -46.42 128.73 12.77 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 O-C-N 125.3 2.211 . . . . 0.0 111.931 -168.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.92 -28.02 11.64 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 CA-C-N 121.403 1.537 . . . . 0.0 113.718 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -11.15 60.62 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.441 1.713 . . . . 0.0 112.4 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -117.87 13.75 14.11 Favored 'General case' 0 CA--C 1.56 1.34 0 O-C-N 121.089 -1.007 . . . . 0.0 111.976 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -97.15 139.71 32.74 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -118.95 110.09 16.73 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 127.26 41.36 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 125.668 1.855 . . . . 0.0 111.134 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -115.53 143.7 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -116.06 113.41 23.13 Favored 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 122.171 0.986 . . . . 0.0 112.165 161.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.91 45.49 6.41 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.66 6.7 52.34 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 117.753 1.861 . . . . 0.0 117.753 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -135.05 114.24 12.23 Favored 'General case' 0 CA--C 1.585 2.306 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.71 125.78 25.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.289 1.436 . . . . 0.0 107.613 171.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.404 ' HB3' HG13 ' A' ' 23' ' ' ILE . 38.9 mt -99.78 114.61 27.87 Favored 'General case' 0 N--CA 1.406 -2.661 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 -167.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.94 141.31 54.01 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.203 1.401 . . . . 0.0 111.107 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.86 -32.97 69.93 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 117.167 -1.397 . . . . 0.0 113.987 -160.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.42 62.85 Favored Glycine 0 N--CA 1.505 3.284 0 O-C-N 128.164 3.415 . . . . 0.0 111.883 -171.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' THR . 41.8 mmt180 -77.85 158.46 29.45 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.461 -1.023 . . . . 0.0 110.081 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.2 p -107.42 163.01 13.41 Favored 'General case' 0 C--O 1.194 -1.851 0 CA-C-N 118.947 0.794 . . . . 0.0 109.663 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.2 mt -57.99 -36.83 73.19 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.4 m -54.97 -39.22 68.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 170.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.85 -36.84 81.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.48 1.512 . . . . 0.0 111.581 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -99.33 8.6 44.54 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -178.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m120 67.81 44.64 1.55 Allowed 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 121.522 -0.736 . . . . 0.0 109.29 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.0 mt -98.32 101.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.459 1.6 . . . . 0.0 108.015 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -89.38 162.26 15.88 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.262 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -53.51 140.86 26.93 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.603 -1.311 . . . . 0.0 112.969 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.282 47.4 mt-10 62.28 17.88 9.71 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.081 1.752 . . . . 0.0 115.044 -168.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -71.82 143.19 49.56 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-O 122.709 1.242 . . . . 0.0 108.689 166.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.03 121.47 38.95 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.658 -1.61 . . . . 0.0 106.726 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.86 153.15 19.0 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-O 122.615 1.198 . . . . 0.0 107.837 168.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -102.22 136.59 41.77 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 124.309 2.004 . . . . 0.0 107.755 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 tp -108.74 128.41 54.85 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.233 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.525 3.31 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.15 134.21 50.15 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 119.566 -1.959 . . . . 0.0 114.363 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.69 161.83 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 163.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -108.83 146.5 33.56 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 124.051 1.882 . . . . 0.0 109.656 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.15 125.72 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 CA-C-N 112.523 -2.126 . . . . 0.0 108.619 164.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.18 129.02 34.89 Favored 'General case' 0 C--N 1.363 1.192 0 O-C-N 127.536 3.023 . . . . 0.0 110.664 160.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -96.47 168.29 10.64 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 114.081 -1.418 . . . . 0.0 114.035 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.13 -8.37 56.36 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 p -98.88 2.91 47.06 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 124.06 0.944 . . . . 0.0 109.631 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.05 28.96 57.67 Favored Glycine 0 N--CA 1.424 -2.104 0 CA-C-O 118.728 -1.04 . . . . 0.0 113.041 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.25 70.9 tttt -92.72 149.64 21.18 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 118.517 1.159 . . . . 0.0 110.267 167.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -112.17 129.02 56.39 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 pt -123.69 142.12 41.51 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.308 0 CA-C-N 112.8 -2.0 . . . . 0.0 111.505 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -105.65 131.15 53.38 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 126.271 2.232 . . . . 0.0 108.345 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -129.67 161.01 31.58 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -169.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -126.31 118.95 26.14 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 124.925 2.298 . . . . 0.0 107.098 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.468 HG11 HG22 ' A' ' 26' ' ' VAL . 12.2 m -151.54 158.3 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 125.356 1.462 . . . . 0.0 107.348 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -111.01 164.13 15.64 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 119.588 -1.945 . . . . 0.0 111.069 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -45.38 -41.13 17.65 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 N-CA-C 117.749 2.173 . . . . 0.0 117.749 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -90.95 1.11 57.3 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 118.912 -2.368 . . . . 0.0 113.041 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -66.61 135.92 54.84 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.82 1.191 . . . . 0.0 113.419 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -67.05 151.81 46.94 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 121.001 -1.062 . . . . 0.0 111.427 171.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.58 -30.09 48.4 Favored 'Isoleucine or valine' 0 C--N 1.39 2.342 0 O-C-N 124.742 1.276 . . . . 0.0 110.51 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.85 -43.5 73.11 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.039 1.336 . . . . 0.0 113.736 170.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -73.76 -27.3 61.09 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 119.466 1.03 . . . . 0.0 112.078 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.468 HG22 HG11 ' A' ' 17' ' ' VAL . 6.5 t -67.81 -45.34 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 169.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -57.28 -40.7 78.31 Favored 'General case' 0 N--CA 1.513 2.725 0 CA-C-O 126.484 3.04 . . . . 0.0 112.703 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.04 73.49 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 111.767 -2.47 . . . . 0.0 114.414 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.46 -26.24 51.25 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.4 -35.89 34.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.281 0 O-C-N 119.511 -1.993 . . . . 0.0 108.641 169.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.342 1.9 tp-100 -53.24 -53.02 56.88 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 125.195 1.559 . . . . 0.0 113.92 168.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -49.61 -51.4 37.7 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 128.123 2.569 . . . . 0.0 113.26 169.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -67.25 -62.61 1.34 Allowed 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -106.75 -7.93 17.03 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 116.544 -1.694 . . . . 0.0 111.778 -161.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.33 11.75 64.09 Favored Glycine 1 CA--C 1.583 4.293 0 CA-C-N 122.307 2.321 . . . . 0.0 115.712 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mm -92.14 112.71 56.37 Favored Pre-proline 0 C--N 1.378 1.814 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.886 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.37 133.12 19.97 Favored 'Trans proline' 0 N--CA 1.512 2.599 0 C-N-CA 122.714 2.276 . . . . 0.0 113.346 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.39 -26.75 76.95 Favored 'Trans proline' 0 CA--C 1.48 -2.175 0 N-CA-C 117.425 2.048 . . . . 0.0 117.425 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.38 -15.58 61.85 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 125.006 1.441 . . . . 0.0 113.557 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -96.67 7.46 46.51 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 126.527 2.392 . . . . 0.0 108.963 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -112.83 153.91 27.11 Favored 'General case' 0 CA--C 1.572 1.803 0 C-N-CA 122.582 0.353 . . . . 0.0 110.991 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -147.2 121.18 9.38 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 170.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -95.12 148.92 21.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.68 -2.512 . . . . 0.0 114.9 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.4 mt -133.68 144.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 O-C-N 120.193 -1.567 . . . . 0.0 108.5 -174.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -148.0 145.14 28.4 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 114.637 -2.602 . . . . 0.0 105.734 165.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.64 30.74 16.96 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 128.472 3.608 . . . . 0.0 112.714 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.67 80.82 Favored Glycine 0 C--N 1.302 -1.339 0 N-CA-C 117.615 1.806 . . . . 0.0 117.615 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -137.87 145.66 42.45 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 118.111 0.956 . . . . 0.0 108.636 -166.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.59 142.25 27.99 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 127.379 2.925 . . . . 0.0 109.752 -170.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.07 124.86 53.57 Favored 'General case' 0 C--O 1.205 -1.273 0 O-C-N 124.847 1.342 . . . . 0.0 108.796 -171.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.29 139.98 57.31 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.08 -41.43 96.63 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 112.141 -2.3 . . . . 0.0 113.726 -167.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.39 10.13 55.89 Favored Glycine 0 CA--C 1.546 1.978 0 CA-C-O 115.01 -3.105 . . . . 0.0 111.822 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.435 HH21 ' CG ' ' A' ' 58' ' ' ASP . 19.8 mmm180 -113.04 169.23 9.08 Favored 'General case' 0 C--N 1.375 1.706 0 CA-C-N 123.055 3.427 . . . . 0.0 105.074 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -118.24 168.61 10.44 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-O 123.926 1.822 . . . . 0.0 110.428 -161.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.16 -36.01 78.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 118.74 -2.475 . . . . 0.0 114.577 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.252 43.3 t -55.27 -46.83 76.15 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 126.077 2.11 . . . . 0.0 115.048 161.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' CG ' HH21 ' A' ' 54' ' ' ARG . 73.1 m-20 -58.68 -43.2 89.86 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-O 125.618 2.628 . . . . 0.0 112.217 177.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -92.2 1.99 56.88 Favored 'General case' 0 N--CA 1.41 -2.447 0 CA-C-N 111.96 -2.382 . . . . 0.0 113.442 -173.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 t30 45.48 48.36 10.91 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 127.562 2.345 . . . . 0.0 116.982 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -76.73 144.87 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.788 0 CA-C-N 112.706 -2.043 . . . . 0.0 110.159 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -108.34 171.82 7.19 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.471 1.109 . . . . 0.0 111.031 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -60.87 139.57 57.94 Favored 'General case' 0 C--N 1.368 1.4 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 56.68 30.18 17.06 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.8 2.44 . . . . 0.0 115.48 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -66.87 157.9 31.95 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 121.233 -0.917 . . . . 0.0 111.795 170.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -113.14 109.09 18.21 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.871 1.32 . . . . 0.0 110.83 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -85.66 149.03 25.6 Favored 'General case' 0 CA--C 1.555 1.155 1 CA-C-N 108.125 -4.125 . . . . 0.0 110.618 169.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -118.55 131.54 56.21 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 101.452 -3.536 . . . . 0.0 101.452 -175.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 128.13 51.23 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-O 122.296 1.046 . . . . 0.0 111.323 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.564 1.506 0 C-N-CA 126.521 1.928 . . . . 0.0 108.029 172.205 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.54 153.71 24.73 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 124.271 1.986 . . . . 0.0 114.71 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 pt -140.01 161.16 26.17 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 O-C-N 119.748 -1.845 . . . . 0.0 109.094 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -111.54 122.52 48.05 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 112.798 -2.001 . . . . 0.0 106.524 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.73 113.75 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -85.07 123.73 30.93 Favored 'General case' 0 C--N 1.378 1.842 0 C-N-CA 123.471 0.708 . . . . 0.0 109.803 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 152.85 23.11 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 126.643 2.464 . . . . 0.0 110.075 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.77 -19.47 64.32 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.083 -2.261 . . . . 0.0 110.53 164.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -90.38 9.11 30.27 Favored 'General case' 0 C--N 1.39 2.335 0 O-C-N 127.46 2.975 . . . . 0.0 113.582 -172.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.88 37.3 16.51 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 120.453 -0.879 . . . . 0.0 114.773 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.8 168.69 19.26 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -137.36 114.18 10.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 103.12 -2.919 . . . . 0.0 103.12 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -83.38 112.58 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 111.969 -2.378 . . . . 0.0 112.469 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.7 m -81.88 118.25 22.78 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.236 -1.802 . . . . 0.0 110.15 170.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 pp -127.07 141.09 51.86 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 118.156 -1.418 . . . . 0.0 112.071 169.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -86.07 135.12 33.75 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.42 171.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.93 146.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.405 1.482 . . . . 0.0 112.162 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.62 156.41 65.12 Favored Pre-proline 0 C--N 1.372 1.585 0 C-N-CA 127.204 2.201 . . . . 0.0 109.572 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -72.23 -12.79 28.01 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 CA-C-N 124.27 2.561 . . . . 0.0 109.786 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 p -94.16 -0.84 54.99 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.47 149.85 49.35 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.16 -1.587 . . . . 0.0 108.896 172.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 67.0 p -97.97 155.55 17.04 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.795 1.934 . . . . 0.0 108.778 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -59.85 -34.82 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 O-C-N 118.171 -2.831 . . . . 0.0 110.464 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -42.29 -48.25 4.94 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 162.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -70.24 -32.93 71.0 Favored 'General case' 0 CA--C 1.598 2.805 0 C-N-CA 124.994 1.318 . . . . 0.0 111.313 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.57 -44.68 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.627 0 O-C-N 119.824 -1.798 . . . . 0.0 108.862 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.43 -38.53 87.61 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 127.512 3.008 . . . . 0.0 114.914 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.1 -30.59 67.83 Favored 'General case' 0 CA--C 1.581 2.148 0 O-C-N 126.107 2.13 . . . . 0.0 113.723 164.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.308 63.9 mttm -59.73 -42.94 94.27 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 115.346 -2.264 . . . . 0.0 113.784 163.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.8 mm -63.5 -33.31 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.759 0 O-C-N 125.557 1.785 . . . . 0.0 113.012 172.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.14 -41.83 84.56 Favored 'General case' 0 N--CA 1.428 -1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 111.147 173.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.57 -53.2 37.1 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.607 -1.308 . . . . 0.0 111.374 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -76.49 -24.15 53.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 116.204 -1.855 . . . . 0.0 113.515 -163.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -140.13 -8.06 1.18 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.784 1.302 . . . . 0.0 111.218 -175.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.07 31.06 44.23 Favored Glycine 0 C--N 1.364 2.131 0 CA-C-N 119.942 1.247 . . . . 0.0 114.606 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -99.64 122.15 52.26 Favored Pre-proline 0 C--O 1.255 1.366 0 C-N-CA 125.647 1.579 . . . . 0.0 111.452 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -65.75 149.26 87.06 Favored 'Trans proline' 0 C--N 1.301 -1.969 0 CA-C-O 113.788 -2.672 . . . . 0.0 111.119 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -59.2 -24.9 76.09 Favored 'Trans proline' 0 N--CA 1.513 2.671 0 C-N-CA 123.338 2.692 . . . . 0.0 117.547 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.79 -14.18 58.89 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.597 1.544 . . . . 0.0 108.938 -174.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -84.48 -10.72 57.22 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.698 -0.626 . . . . 0.0 111.51 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -106.07 141.09 38.03 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 117.278 -1.769 . . . . 0.0 110.465 -164.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -131.7 131.96 43.51 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.705 -3.813 . . . . 0.0 100.705 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -110.72 136.61 49.53 Favored 'General case' 0 N--CA 1.395 -3.185 0 CA-C-O 122.171 0.986 . . . . 0.0 112.336 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -122.84 133.11 69.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.131 0 CA-C-O 116.291 -1.814 . . . . 0.0 108.261 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -143.66 135.98 26.92 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 101.81 -3.404 . . . . 0.0 101.81 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.9 30.31 18.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.505 1.922 . . . . 0.0 115.048 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.29 16.81 60.83 Favored Glycine 0 C--O 1.252 1.242 0 CA-C-O 116.457 -2.301 . . . . 0.0 117.912 -169.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -122.02 151.41 40.86 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 124.408 2.051 . . . . 0.0 111.002 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.4 131.27 42.38 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 111.051 -2.795 . . . . 0.0 109.833 -174.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -97.32 128.08 43.85 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.931 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -84.65 146.03 27.68 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.74 -46.24 90.48 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 118.928 2.936 . . . . 0.0 118.928 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.83 -17.5 79.31 Favored Glycine 0 N--CA 1.489 2.167 0 CA-C-N 120.555 1.525 . . . . 0.0 114.177 -174.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -67.9 138.69 56.21 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 127.073 2.278 . . . . 0.0 112.878 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 68.5 p -82.42 166.68 19.18 Favored 'General case' 0 CA--C 1.558 1.265 0 O-C-N 119.9 -1.75 . . . . 0.0 113.651 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.42 -41.06 88.67 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 112.593 -2.094 . . . . 0.0 109.931 169.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -54.09 -45.33 71.77 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -53.33 -37.92 62.75 Favored 'General case' 0 C--O 1.251 1.18 0 C-N-CA 126.735 2.014 . . . . 0.0 113.077 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -97.87 0.03 45.91 Favored 'General case' 0 CA--C 1.485 -1.519 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.275 25.5 m120 62.2 44.45 7.71 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.854 1.662 . . . . 0.0 113.688 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 mt -83.57 118.33 30.87 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-O 122.289 1.042 . . . . 0.0 111.184 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.79 167.44 11.26 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.211 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 142.79 12.49 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.264 37.9 mt-10 71.56 16.55 5.84 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.744 174.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.1 m -75.74 157.89 32.95 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 118.648 -1.221 . . . . 0.0 114.242 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.2 m -110.38 116.63 31.78 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.023 -2.298 . . . . 0.0 105.032 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.3 163.24 13.16 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 122.898 1.333 . . . . 0.0 112.584 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -117.8 139.88 50.46 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 118.822 -2.424 . . . . 0.0 110.253 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -114.73 128.33 56.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.575 2.35 . . . . 0.0 109.225 -175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.435 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.528 3.446 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.55 149.6 24.25 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 126.367 2.292 . . . . 0.0 115.863 169.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 pt -138.7 168.11 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 112.415 -2.175 . . . . 0.0 107.556 164.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.14 138.88 53.34 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.78 -1.2 . . . . 0.0 110.714 -174.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.78 127.84 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 168.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -86.12 124.21 32.28 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 165.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -101.42 140.61 35.47 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.7 mt -86.36 13.1 8.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 109.08 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.2 p -91.31 -6.81 52.55 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.911 -1.118 . . . . 0.0 111.325 166.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.41 35.16 2.52 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 124.944 1.403 . . . . 0.0 112.044 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -136.4 157.78 45.98 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.99 1.895 . . . . 0.0 113.63 170.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 m -105.89 132.24 52.24 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.224 1.012 . . . . 0.0 109.136 173.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -108.86 143.14 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 m -113.88 126.09 54.79 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.47 0.481 . . . . 0.0 110.614 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 29' ' ' LYS . 97.2 mt -112.78 126.95 55.98 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -91.65 122.22 34.02 Favored 'General case' 0 C--N 1.378 1.807 0 CA-C-O 124.27 1.986 . . . . 0.0 110.038 165.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.63 163.21 31.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.327 0 CA-C-N 111.124 -2.762 . . . . 0.0 111.525 -174.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -112.73 143.42 28.98 Favored Pre-proline 0 N--CA 1.483 1.214 1 N-CA-C 99.797 -4.149 . . . . 0.0 99.797 174.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.23 -6.46 13.25 Favored 'Trans proline' 0 N--CA 1.508 2.332 0 CA-C-N 124.146 2.517 . . . . 0.0 117.337 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -87.4 -3.97 59.02 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 117.995 -1.482 . . . . 0.0 112.228 166.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -71.72 145.26 48.91 Favored 'General case' 0 C--N 1.362 1.132 0 CA-C-N 122.369 2.35 . . . . 0.0 114.248 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 163.48 25.05 Favored 'General case' 0 C--O 1.26 1.645 0 O-C-N 119.152 -2.217 . . . . 0.0 114.058 172.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.09 -34.2 68.65 Favored 'Isoleucine or valine' 0 C--N 1.373 1.6 0 CA-C-N 110.319 -3.128 . . . . 0.0 111.737 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -58.08 -40.49 81.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.361 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.12 -42.24 89.44 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 116.97 -1.49 . . . . 0.0 112.799 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.43 -43.87 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 126.46 2.35 . . . . 0.0 110.382 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -61.16 -31.31 71.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 119.997 -1.69 . . . . 0.0 113.872 171.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.59 -26.73 66.42 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 119.169 -1.013 . . . . 0.0 113.149 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HB3' HD22 ' A' ' 15' ' ' LEU . 77.4 mttt -87.09 -28.7 22.37 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.001 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.02 -45.33 98.96 Favored 'Isoleucine or valine' 0 C--N 1.406 3.03 0 O-C-N 125.919 2.012 . . . . 0.0 110.073 164.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -64.48 -45.16 88.55 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.354 1.034 . . . . 0.0 110.528 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.23 -44.45 95.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 117.052 -1.451 . . . . 0.0 110.986 176.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -70.8 -56.69 5.78 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 119.082 2.993 . . . . 0.0 119.082 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -106.55 -3.25 21.01 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 123.792 0.682 . . . . 0.0 112.665 -165.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 28.1 64.04 Favored Glycine 0 N--CA 1.499 2.893 0 O-C-N 119.716 -1.865 . . . . 0.0 113.465 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.3 mt -98.39 128.73 32.29 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -54.23 129.98 37.32 Favored 'Trans proline' 0 N--CA 1.533 3.84 0 N-CA-C 117.583 2.109 . . . . 0.0 117.583 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -63.71 -19.01 66.53 Favored 'Trans proline' 0 N--CA 1.513 2.645 0 CA-C-N 121.453 1.555 . . . . 0.0 114.36 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.59 -34.95 67.67 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -97.76 -5.48 34.88 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 123.086 2.676 . . . . 0.0 114.182 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -84.94 128.41 34.61 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -123.53 127.79 48.83 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 124.411 1.07 . . . . 0.0 110.749 155.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.97 143.81 26.6 Favored 'General case' 0 C--N 1.366 1.286 0 CA-C-O 116.821 -1.562 . . . . 0.0 107.775 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -126.81 124.02 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.825 0 O-C-N 127.149 2.78 . . . . 0.0 105.93 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -118.63 95.83 5.02 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 123.949 1.833 . . . . 0.0 107.671 -170.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.82 42.97 0.68 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 118.035 2.605 . . . . 0.0 118.035 -163.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 -21.79 35.46 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 117.304 -1.831 . . . . 0.0 111.394 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -87.7 120.47 29.06 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 118.847 1.324 . . . . 0.0 111.456 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -81.1 128.25 33.53 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.093 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -75.87 162.79 27.83 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 125.505 1.753 . . . . 0.0 111.115 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -112.49 143.52 43.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -58.56 -40.87 84.3 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 125.53 1.769 . . . . 0.0 115.464 -168.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.62 -4.49 76.2 Favored Glycine 0 CA--C 1.551 2.304 0 O-C-N 119.136 -2.227 . . . . 0.0 114.971 -165.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -83.33 158.62 22.11 Favored 'General case' 0 N--CA 1.511 2.606 0 CA-C-N 119.367 1.584 . . . . 0.0 109.954 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.7 p -90.93 153.47 20.16 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.579 1.657 . . . . 0.0 111.552 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.18 -35.95 60.4 Favored 'General case' 0 CA--C 1.577 2.006 0 O-C-N 119.877 -1.764 . . . . 0.0 110.304 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.8 t -59.37 -30.1 68.16 Favored 'General case' 0 CA--C 1.58 2.115 0 O-C-N 119.794 -1.816 . . . . 0.0 112.971 173.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.96 -21.0 60.18 Favored 'General case' 0 C--N 1.389 2.309 0 CA-C-N 119.888 1.222 . . . . 0.0 111.439 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -99.79 0.03 40.79 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 116.753 -1.594 . . . . 0.0 113.628 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.266 59.7 m-20 40.2 49.54 2.45 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 125.5 2.571 . . . . 0.0 116.399 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.82 122.13 31.98 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-N 113.694 -1.594 . . . . 0.0 108.171 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -112.65 169.35 8.96 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 110.668 -2.969 . . . . 0.0 113.807 -173.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 141.87 44.66 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 68.91 15.6 8.88 Favored 'General case' 0 N--CA 1.491 1.579 1 O-C-N 129.18 4.05 . . . . 0.0 112.816 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -73.7 160.82 30.99 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.685 -1.26 . . . . 0.0 112.462 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.0 m -123.88 112.47 17.29 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.845 1.658 . . . . 0.0 108.503 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.9 mt -111.09 149.6 30.59 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-O 123.689 1.709 . . . . 0.0 109.319 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -109.89 137.68 47.33 Favored 'General case' 0 CA--C 1.481 -1.682 0 O-C-N 119.304 -2.122 . . . . 0.0 106.579 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.75 109.64 21.58 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.778 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 174.829 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.293 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.593 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -87.55 135.15 33.47 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.131 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -126.54 167.53 21.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 104.94 -2.245 . . . . 0.0 104.94 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -122.09 153.75 38.27 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 123.75 1.738 . . . . 0.0 109.022 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.431 HG13 ' HB2' ' A' ' 67' ' ' LEU . 2.9 t -136.28 125.84 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 O-C-N 120.77 -1.206 . . . . 0.0 107.845 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -106.11 127.97 53.56 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -89.48 155.95 18.96 Favored 'General case' 0 C--O 1.258 1.513 0 CA-C-O 124.96 2.314 . . . . 0.0 109.091 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.64 -37.34 81.19 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.073 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -32.82 68.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 173.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.56 26.46 2.38 Favored Glycine 0 CA--C 1.474 -2.514 0 CA-C-O 118.018 -1.434 . . . . 0.0 114.819 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -108.43 149.94 28.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -116.27 114.07 23.87 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -86.05 138.23 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -109.81 105.44 14.66 Favored 'General case' 0 C--N 1.395 2.554 0 N-CA-C 104.727 -2.323 . . . . 0.0 104.727 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -113.43 124.82 53.33 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 101.119 -3.66 . . . . 0.0 101.119 -161.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -96.71 122.84 40.09 Favored 'General case' 0 N--CA 1.536 3.833 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.992 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.04 166.0 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.798 0 O-C-N 118.09 -2.881 . . . . 0.0 108.341 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -96.13 138.77 21.59 Favored Pre-proline 0 C--O 1.203 -1.37 0 CA-C-N 110.727 -2.942 . . . . 0.0 103.885 171.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.22 -28.06 69.28 Favored 'Trans proline' 0 N--CA 1.533 3.852 0 CA-C-N 122.738 2.014 . . . . 0.0 114.869 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.3 p -89.23 20.76 3.56 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 117.757 -1.116 . . . . 0.0 113.489 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.56 144.99 35.06 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 125.157 1.536 . . . . 0.0 114.398 166.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 26' ' ' VAL . 43.8 p -84.02 160.8 20.92 Favored 'General case' 0 N--CA 1.52 3.035 0 CA-C-N 113.487 -1.688 . . . . 0.0 108.271 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 50' ' ' LEU . 38.9 mm -62.88 -34.84 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 119.422 -2.049 . . . . 0.0 111.239 171.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.42 -42.93 83.29 Favored 'General case' 0 CA--C 1.572 1.827 0 C-N-CA 117.801 -1.56 . . . . 0.0 114.753 170.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -64.46 -37.37 87.3 Favored 'General case' 1 N--CA 1.54 4.048 0 C-N-CA 125.625 1.57 . . . . 0.0 110.799 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 22' ' ' THR . 79.7 t -60.76 -41.74 89.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 126.98 2.675 . . . . 0.0 110.411 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.28 -42.03 97.96 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.716 1.606 . . . . 0.0 112.477 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.56 64.3 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 123.287 1.518 . . . . 0.0 112.575 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.37 -37.47 66.03 Favored 'General case' 0 C--O 1.269 2.101 0 O-C-N 119.842 -1.786 . . . . 0.0 111.47 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.85 -30.11 49.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 O-C-N 123.686 0.617 . . . . 0.0 111.197 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -59.92 -49.46 77.6 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.577 1.551 . . . . 0.0 109.784 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.53 -42.68 99.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 119.32 3.082 . . . . 0.0 119.32 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -121.9 -16.96 7.47 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.183 1.81 . . . . 0.0 112.832 -172.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.88 56.56 8.03 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 -168.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.1 mt -124.47 120.72 25.96 Favored Pre-proline 0 C--N 1.394 2.507 0 CA-C-N 120.345 2.072 . . . . 0.0 106.071 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.34 141.4 95.63 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 CA-C-O 114.167 -2.514 . . . . 0.0 111.492 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -33.6 -44.72 0.32 Allowed 'Trans proline' 0 N--CA 1.527 3.45 1 C-N-CA 128.398 6.065 . . . . 0.0 117.007 172.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -86.68 -5.03 59.24 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.17 -21.81 36.34 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 117.456 -3.278 . . . . 0.0 110.529 167.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.79 122.9 30.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 127.358 2.911 . . . . 0.0 114.236 -170.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -118.21 123.81 46.39 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 50' ' ' LEU . 16.0 mt -105.23 133.84 49.33 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 124.688 2.185 . . . . 0.0 114.466 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -126.52 136.65 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.615 -169.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -131.25 130.05 42.37 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.24 33.58 11.52 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 162.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.19 74.65 Favored Glycine 0 CA--C 1.553 2.444 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.032 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -148.72 148.93 30.59 Favored 'General case' 0 CA--C 1.581 2.137 0 CA-C-N 118.842 1.321 . . . . 0.0 111.75 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.02 136.66 37.26 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 120.28 -1.512 . . . . 0.0 112.203 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 23' ' ' ILE . 20.3 mt -70.73 139.5 51.13 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 117.622 -1.18 . . . . 0.0 113.325 175.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.96 139.46 44.87 Favored 'General case' 0 C--N 1.391 2.384 0 CA-C-N 118.763 0.71 . . . . 0.0 112.418 163.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -62.51 -40.67 97.47 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.51 0.87 75.02 Favored Glycine 0 N--CA 1.488 2.114 0 CA-C-N 120.167 1.349 . . . . 0.0 114.773 -171.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -83.16 150.06 26.48 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 116.307 -1.806 . . . . 0.0 111.228 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.1 p -96.65 164.58 12.53 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 125.315 1.634 . . . . 0.0 111.056 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.04 -19.98 63.27 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.626 1.679 . . . . 0.0 113.506 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -70.3 -35.15 73.5 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 116.465 -1.731 . . . . 0.0 113.744 168.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -65.33 -32.93 74.83 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 120.926 1.694 . . . . 0.0 111.75 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -86.37 -4.22 59.13 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 171.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.4 m120 57.24 38.66 28.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.181 0.515 . . . . 0.0 112.086 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.97 124.99 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.774 0.797 . . . . 0.0 110.988 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.14 153.15 26.17 Favored 'General case' 0 C--O 1.191 -2.0 0 CA-C-N 113.832 -1.531 . . . . 0.0 113.856 173.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -60.68 149.87 33.95 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.684 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 66.1 14.29 9.55 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 124.87 1.268 . . . . 0.0 114.38 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -95.65 170.67 9.17 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 119.234 0.925 . . . . 0.0 109.597 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.1 m -122.66 124.74 44.13 Favored 'General case' 0 C--O 1.19 -2.045 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -167.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.431 ' HB2' HG13 ' A' ' 5' ' ' VAL . 25.6 mt -90.7 139.67 30.5 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 165.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -94.53 144.37 25.64 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 122.84 1.305 . . . . 0.0 109.527 164.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 tp -114.06 128.93 56.6 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 N--CA 1.494 1.768 0 O-C-N 128.679 3.737 . . . . 0.0 110.059 177.466 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ptt? . . . . . 0 N--CA 1.5 2.056 0 N-CA-C 106.46 -1.682 . . . . 0.0 106.46 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -100.43 147.62 25.65 Favored 'General case' 0 N--CA 1.509 2.498 0 CA-C-N 114.345 -1.298 . . . . 0.0 113.71 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -141.16 159.55 22.87 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -120.83 133.29 55.32 Favored 'General case' 0 CA--C 1.475 -1.924 0 CA-C-N 109.836 -3.347 . . . . 0.0 105.018 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.46 123.98 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.042 0 O-C-N 125.204 1.565 . . . . 0.0 108.008 175.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -103.62 135.29 45.48 Favored 'General case' 0 C--O 1.202 -1.433 0 C-N-CA 127.46 2.304 . . . . 0.0 108.135 -171.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -95.47 166.11 12.02 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 tp -66.96 -30.67 70.86 Favored 'General case' 0 CA--C 1.576 1.967 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -92.76 17.58 10.19 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-O 116.522 -1.704 . . . . 0.0 115.034 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 -18.22 33.24 Favored Glycine 0 N--CA 1.514 3.838 0 CA-C-N 121.307 1.867 . . . . 0.0 115.437 158.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -68.54 151.57 46.58 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.489 -1.243 . . . . 0.0 113.175 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.0 m -125.22 133.44 52.72 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 123.519 2.872 . . . . 0.0 108.738 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.43 128.95 63.6 Favored 'Isoleucine or valine' 0 C--N 1.401 2.807 0 O-C-N 118.697 -2.502 . . . . 0.0 107.735 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -108.11 116.65 32.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.589 1.54 . . . . 0.0 107.396 -166.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.421 HD11 ' CG1' ' A' ' 30' ' ' ILE . 12.1 mt -115.62 135.25 54.25 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 112.146 -2.297 . . . . 0.0 110.686 -169.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -101.45 119.99 39.6 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.63 169.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 C-N-CA 126.863 2.065 . . . . 0.0 110.054 -164.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -119.41 154.54 54.2 Favored Pre-proline 0 C--N 1.368 1.401 0 O-C-N 120.698 -1.251 . . . . 0.0 113.853 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -41.75 -46.75 6.44 Favored 'Trans proline' 1 N--CA 1.547 4.673 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 171.253 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 p -86.74 25.84 1.21 Allowed 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 125.729 1.612 . . . . 0.0 110.684 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -100.19 136.97 39.26 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 168.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -78.44 162.61 26.27 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 124.478 2.085 . . . . 0.0 112.471 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.42 -34.99 73.77 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 113.202 -1.817 . . . . 0.0 109.625 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.77 -42.91 76.21 Favored 'General case' 0 C--N 1.373 1.619 0 CA-C-O 122.984 1.373 . . . . 0.0 114.308 171.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -67.01 -43.24 83.37 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-N 111.736 -2.484 . . . . 0.0 114.634 172.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.9 -42.56 95.15 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.205 0 O-C-N 119.549 -1.97 . . . . 0.0 109.667 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.48 -44.57 95.8 Favored 'General case' 0 N--CA 1.527 3.398 0 CA-C-O 122.874 1.321 . . . . 0.0 111.139 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.78 68.23 Favored 'General case' 0 CA--C 1.56 1.335 0 O-C-N 118.598 -2.564 . . . . 0.0 113.783 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -68.17 -35.7 78.46 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.113 0.87 . . . . 0.0 110.442 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CG1' HD11 ' A' ' 15' ' ' LEU . 79.5 mt -74.51 -25.06 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.803 1.241 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.39 -45.78 87.67 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 127.563 2.345 . . . . 0.0 113.51 170.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -74.71 -21.96 59.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 126.307 2.254 . . . . 0.0 111.387 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -85.36 -62.1 1.61 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 122.615 1.198 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -115.29 14.71 16.9 Favored 'General case' 0 C--O 1.189 -2.121 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.908 -169.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.68 30.15 66.67 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 119.923 -1.735 . . . . 0.0 113.64 168.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mt -95.86 120.01 63.85 Favored Pre-proline 0 CA--C 1.576 1.979 0 CA-C-N 119.608 1.704 . . . . 0.0 110.339 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.97 130.9 8.19 Favored 'Trans proline' 0 N--CA 1.518 2.968 0 CA-C-N 120.561 1.236 . . . . 0.0 114.165 162.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -68.52 -34.35 20.22 Favored 'Trans proline' 0 N--CA 1.518 2.952 0 CA-C-O 122.059 0.774 . . . . 0.0 112.839 -160.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.26 -10.52 57.6 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.094 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -71.64 -14.3 62.02 Favored 'General case' 0 C--N 1.371 1.524 0 CA-C-N 122.877 2.58 . . . . 0.0 111.485 164.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -83.29 125.2 31.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 118.362 -2.711 . . . . 0.0 114.961 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.294 85.8 mtt180 -106.68 111.9 24.65 Favored 'General case' 0 N--CA 1.418 -2.028 0 C-N-CA 125.189 1.396 . . . . 0.0 110.792 163.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 43' ' ' LEU . 8.4 mt -99.28 111.02 23.48 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.4 mt -113.6 134.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.89 0 CA-C-O 124.441 2.067 . . . . 0.0 106.127 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -133.83 125.72 29.0 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 119.056 -2.277 . . . . 0.0 107.322 170.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.93 61.79 2.93 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 125.989 2.055 . . . . 0.0 113.414 166.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 5.2 88.59 Favored Glycine 0 N--CA 1.509 3.536 0 CA-C-N 113.324 -1.762 . . . . 0.0 114.751 165.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -154.49 163.85 39.56 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -71.63 150.17 44.89 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 mt -85.16 126.01 33.29 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.576 160.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.17 140.64 58.43 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 123.599 1.666 . . . . 0.0 113.99 166.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.38 -36.41 79.13 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -167.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.91 5.57 70.15 Favored Glycine 0 N--CA 1.512 3.705 0 C-N-CA 127.762 2.601 . . . . 0.0 111.59 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -110.95 154.92 23.43 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.083 1.942 . . . . 0.0 106.111 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -90.16 159.85 16.55 Favored 'General case' 0 N--CA 1.426 -1.633 0 O-C-N 124.088 0.867 . . . . 0.0 112.381 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 118.774 -2.454 . . . . 0.0 111.783 162.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -68.8 -33.4 73.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.954 1.252 . . . . 0.0 110.497 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -60.25 -45.76 92.15 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 127.456 2.302 . . . . 0.0 113.487 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -86.32 -6.8 58.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.793 1.308 . . . . 0.0 108.425 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 77.52 29.72 0.52 Allowed 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -95.35 123.91 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.191 0 CA-C-O 115.558 -2.163 . . . . 0.0 108.562 -164.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -93.77 162.39 13.94 Favored 'General case' 0 C--O 1.194 -1.86 0 O-C-N 126.708 2.505 . . . . 0.0 111.435 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.57 151.95 0.07 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 166.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.37 44.6 mt-10 72.99 -9.88 1.07 Allowed 'General case' 0 C--O 1.194 -1.854 0 O-C-N 119.348 -2.095 . . . . 0.0 114.423 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -52.42 147.1 8.56 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 122.725 2.511 . . . . 0.0 116.991 172.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -99.91 114.34 27.51 Favored 'General case' 0 C--N 1.373 1.61 0 N-CA-C 105.669 -1.975 . . . . 0.0 105.669 175.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.35 159.02 16.21 Favored 'General case' 0 CA--C 1.491 -1.312 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -117.58 142.26 47.4 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 120.803 1.638 . . . . 0.0 109.652 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.72 121.81 43.62 Favored 'General case' 0 N--CA 1.52 3.035 0 O-C-N 128.347 3.53 . . . . 0.0 112.795 -174.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 169.167 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -85.02 145.15 27.84 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-O 124.028 1.871 . . . . 0.0 109.603 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 pt -128.52 159.34 40.2 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 CA-C-N 111.288 -2.687 . . . . 0.0 106.006 164.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -109.41 135.14 50.93 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.335 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.36 115.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.846 0 O-C-N 124.887 1.367 . . . . 0.0 108.675 169.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.365 47.0 mtpt -107.08 118.25 36.2 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 123.725 1.726 . . . . 0.0 114.297 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.3 p -61.63 163.79 6.74 Favored 'General case' 0 C--N 1.423 3.786 0 O-C-N 117.935 -2.978 . . . . 0.0 114.072 171.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.2 -39.37 94.46 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 121.376 -0.828 . . . . 0.0 112.677 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.261 25.5 p -78.75 -17.23 56.14 Favored 'General case' 0 C--N 1.378 1.83 0 O-C-N 117.924 -2.985 . . . . 0.0 116.259 174.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.6 4.24 Favored Glycine 0 CA--C 1.557 2.711 0 CA-C-O 113.553 -3.915 . . . . 0.0 121.359 164.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -78.29 134.07 37.57 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 121.146 2.473 . . . . 0.0 114.06 165.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.8 m -96.55 126.29 41.63 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 124.88 1.362 . . . . 0.0 108.853 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.43 113.24 43.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 173.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.5 m -90.66 114.26 26.51 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 112.907 -1.951 . . . . 0.0 107.153 -172.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 mt -110.32 137.59 47.84 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 123.458 0.703 . . . . 0.0 112.054 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -101.33 118.22 36.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.616 -1.174 . . . . 0.0 111.173 172.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -147.56 160.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 O-C-N 124.739 1.274 . . . . 0.0 107.967 -174.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 31.0 mt-10 -100.77 165.59 14.02 Favored Pre-proline 0 CA--C 1.572 1.809 0 CA-C-O 117.248 -1.358 . . . . 0.0 109.0 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.57 -32.13 79.67 Favored 'Trans proline' 0 N--CA 1.531 3.692 0 CA-C-N 122.894 2.069 . . . . 0.0 116.097 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -93.79 5.85 50.31 Favored 'General case' 0 CA--C 1.567 1.611 0 O-C-N 120.389 -1.445 . . . . 0.0 110.595 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.53 154.4 32.61 Favored 'General case' 0 C--N 1.38 1.916 0 CA-C-O 123.442 1.591 . . . . 0.0 112.601 157.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.6 p -112.52 171.67 7.38 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 113.63 -1.623 . . . . 0.0 112.294 -164.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.16 -35.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.56 166.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.32 -36.14 81.26 Favored 'General case' 0 N--CA 1.518 2.975 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.949 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -60.39 -44.17 95.92 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.989 169.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.86 -47.06 89.94 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 CA-C-N 120.032 1.287 . . . . 0.0 112.675 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.68 -45.22 89.93 Favored 'General case' 0 C--N 1.375 1.676 0 CA-C-N 121.065 1.757 . . . . 0.0 115.095 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . 0.254 . . -57.37 -43.43 83.57 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 125.022 2.344 . . . . 0.0 112.053 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -66.29 -29.45 69.67 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 174.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -83.83 -25.31 7.6 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 125.512 1.758 . . . . 0.0 112.821 171.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.99 -50.0 70.07 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 157.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -61.5 -39.83 92.39 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 122.611 1.196 . . . . 0.0 114.003 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -80.93 -77.49 0.2 Allowed 'General case' 0 C--N 1.364 1.226 0 CA-C-O 114.774 -2.536 . . . . 0.0 111.675 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.301 76.7 mm-40 -88.4 -4.88 58.57 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.66 24.25 33.69 Favored Glycine 0 C--O 1.214 -1.129 0 O-C-N 127.255 2.847 . . . . 0.0 115.515 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.8 mt -96.27 132.53 26.51 Favored Pre-proline 0 N--CA 1.483 1.19 0 CA-C-O 116.427 -1.749 . . . . 0.0 111.733 -164.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -55.01 131.69 47.92 Favored 'Trans proline' 0 CA--C 1.563 1.955 0 C-N-CA 122.162 1.908 . . . . 0.0 112.367 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -47.95 -35.92 26.16 Favored 'Trans proline' 0 N--CA 1.508 2.366 1 C-N-CA 126.313 4.675 . . . . 0.0 114.032 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.7 -16.92 60.1 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-N 119.856 1.207 . . . . 0.0 113.32 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -87.26 -13.41 43.84 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 119.875 -1.765 . . . . 0.0 107.857 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.85 131.26 38.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 -168.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.08 113.7 23.52 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 160.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -105.77 124.61 49.85 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -123.18 133.5 68.93 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-O 124.135 1.922 . . . . 0.0 108.936 -163.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -146.72 147.2 30.72 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 104.986 -2.227 . . . . 0.0 104.986 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.91 36.17 23.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.072 1.749 . . . . 0.0 114.713 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.75 11.86 85.02 Favored Glycine 0 C--N 1.3 -1.422 0 N-CA-C 118.109 2.004 . . . . 0.0 118.109 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -149.75 153.92 37.66 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 119.846 1.823 . . . . 0.0 107.078 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.88 124.76 24.58 Favored 'General case' 0 C--O 1.258 1.508 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.104 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -66.71 147.67 52.95 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 112.495 -2.139 . . . . 0.0 113.688 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -104.26 140.89 37.21 Favored 'General case' 0 CA--C 1.578 2.041 0 O-C-N 124.428 1.08 . . . . 0.0 111.764 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.63 -50.52 24.2 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.56 -6.46 81.07 Favored Glycine 0 C--O 1.203 -1.805 0 CA-C-O 117.981 -1.455 . . . . 0.0 115.406 -170.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -92.33 166.26 12.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 123.359 1.552 . . . . 0.0 109.909 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -99.95 164.15 12.13 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.164 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.16 -30.38 71.54 Favored 'General case' 0 C--O 1.28 2.697 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.787 162.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -61.66 -39.94 93.14 Favored 'General case' 0 C--N 1.379 1.865 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 166.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.18 -33.37 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.325 1.05 . . . . 0.0 113.763 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -95.6 -5.31 42.81 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.43 64.95 0.78 Allowed 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 125.023 1.329 . . . . 0.0 110.761 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.2 mm -100.23 110.47 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 CA-C-O 125.921 2.772 . . . . 0.0 108.782 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -76.4 167.92 20.99 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 110.046 -3.252 . . . . 0.0 116.548 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -69.57 116.81 10.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.806 -166.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 82.8 29.56 0.1 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.692 2.187 . . . . 0.0 108.656 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 t -77.2 153.88 33.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 118.954 -2.341 . . . . 0.0 116.499 169.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.1 m -102.04 121.16 41.65 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 118.614 -2.554 . . . . 0.0 112.516 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.89 141.25 31.1 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 125.286 2.47 . . . . 0.0 111.498 161.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -89.67 137.67 32.13 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 119.96 -1.712 . . . . 0.0 109.117 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.9 tp -120.36 128.49 53.29 Favored 'General case' 0 C--O 1.264 1.829 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 C--O 1.202 -1.406 0 N-CA-C 102.017 -3.327 . . . . 0.0 102.017 -176.32 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 CA--C 1.555 1.171 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -106.73 124.09 49.1 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.82 152.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -105.29 138.74 41.02 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-O 123.313 1.53 . . . . 0.0 109.1 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.17 120.71 65.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 O-C-N 120.468 -1.395 . . . . 0.0 107.919 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -97.32 111.18 23.54 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.08 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -67.23 162.75 21.91 Favored 'General case' 0 C--N 1.411 3.278 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.469 HD22 ' H ' ' A' ' 71' ' ' LEU . 41.2 tp -64.98 -38.53 91.28 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 117.303 2.335 . . . . 0.0 117.303 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p -79.01 -15.02 58.83 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 168.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.68 27.99 2.2 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 118.959 2.343 . . . . 0.0 118.959 157.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -92.52 159.18 15.63 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 m -104.64 130.11 52.69 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 pt -116.96 145.44 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 CA-C-O 122.474 1.13 . . . . 0.0 110.299 161.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -110.85 122.86 48.91 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.902 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 mt -117.22 133.17 56.31 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 109.354 -174.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.79 113.37 22.56 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.532 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -128.56 172.53 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.686 1.195 . . . . 0.0 112.839 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.26 158.26 41.67 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -58.76 -32.87 97.9 Favored 'Trans proline' 0 N--CA 1.518 2.961 0 C-N-CA 120.96 1.107 . . . . 0.0 114.632 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -81.42 0.53 37.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 127.042 2.714 . . . . 0.0 115.902 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -74.09 131.15 41.04 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 125.016 2.341 . . . . 0.0 111.495 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.1 p -75.86 155.21 35.52 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.805 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.91 -35.69 52.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.229 0 CA-C-N 110.337 -3.12 . . . . 0.0 111.493 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.45 -45.17 55.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 127.446 2.966 . . . . 0.0 112.873 165.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.69 -30.99 24.35 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 118.298 -2.751 . . . . 0.0 109.565 -172.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.76 -34.41 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.975 0 CA-C-N 119.724 1.147 . . . . 0.0 111.988 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -66.67 -34.89 78.87 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.502 -0.749 . . . . 0.0 111.331 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.29 96.87 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.605 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -60.6 -38.28 84.16 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 167.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.91 -42.9 94.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-N 120.191 1.359 . . . . 0.0 111.406 166.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -57.36 -43.82 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 121.607 2.003 . . . . 0.0 111.3 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -53.5 -61.93 1.98 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -62.24 -50.84 70.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.118 1.767 . . . . 0.0 111.805 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -98.94 -12.36 20.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.097 2.999 . . . . 0.0 119.097 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.86 78.44 Favored Glycine 0 C--O 1.175 -3.542 0 O-C-N 118.795 -2.441 . . . . 0.0 115.027 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.56 118.91 60.04 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 119.038 -2.448 . . . . 0.0 110.225 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -46.92 135.75 17.59 Favored 'Trans proline' 1 N--CA 1.548 4.69 0 CA-C-N 123.593 2.319 . . . . 0.0 117.739 167.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -50.37 -36.79 49.04 Favored 'Trans proline' 0 C--O 1.208 -0.994 0 C-N-CA 122.27 1.98 . . . . 0.0 116.754 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.22 -39.01 13.18 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 129.227 4.079 . . . . 0.0 112.0 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -97.21 8.54 44.34 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 124.783 1.302 . . . . 0.0 111.837 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -106.01 138.73 41.69 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.967 1.307 . . . . 0.0 110.301 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.523 HH22 ' C ' ' A' ' 76' ' ' GLY . 17.1 ttm180 -125.11 137.11 54.18 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.602 1.561 . . . . 0.0 107.454 161.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -112.73 140.01 47.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.329 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.35 148.16 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.809 0 O-C-N 125.119 1.512 . . . . 0.0 113.097 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -141.28 130.27 23.22 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.594 1.557 . . . . 0.0 112.015 160.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.78 39.76 30.75 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.439 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.64 13.57 74.76 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 120.606 -1.309 . . . . 0.0 115.124 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -123.21 128.14 49.6 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 122.816 -0.226 . . . . 0.0 111.55 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -74.92 153.5 38.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 118.819 -1.153 . . . . 0.0 112.7 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.2 mt -108.85 126.93 53.58 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.933 0.873 . . . . 0.0 112.686 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.84 134.83 47.66 Favored 'General case' 0 C--N 1.378 1.806 0 C-N-CA 124.668 1.187 . . . . 0.0 113.012 170.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -58.28 -32.7 68.65 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.344 1.858 . . . . 0.0 113.919 -170.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.57 -10.67 81.33 Favored Glycine 0 C--O 1.194 -2.364 0 C-N-CA 124.487 1.042 . . . . 0.0 111.659 -172.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -89.27 141.84 28.18 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 119.882 -1.952 . . . . 0.0 110.561 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 65.9 p -82.16 172.63 12.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 124.207 1.956 . . . . 0.0 116.094 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.85 -28.58 66.22 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.707 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -91.35 -6.97 52.18 Favored 'General case' 0 N--CA 1.507 2.4 0 C-N-CA 125.346 1.458 . . . . 0.0 110.595 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -94.8 -13.39 25.65 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 167.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -101.69 6.58 41.95 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 115.728 -2.082 . . . . 0.0 110.896 160.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 53.39 48.32 22.17 Favored 'General case' 0 N--CA 1.415 -2.216 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mm -88.43 114.32 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.705 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . 0.264 16.3 mm100 -100.08 162.87 12.7 Favored 'General case' 0 C--O 1.194 -1.818 0 O-C-N 118.185 -2.822 . . . . 0.0 107.997 166.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 155.77 2.55 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -174.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.273 45.2 mt-10 78.26 1.97 2.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -79.8 137.72 37.05 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.9 m -93.97 111.29 22.98 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 126.844 2.59 . . . . 0.0 106.855 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.41 148.39 22.28 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 110.446 -3.07 . . . . 0.0 103.146 163.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.2 131.94 55.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.951 -1.718 . . . . 0.0 109.833 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -98.35 130.32 45.01 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.097 0.873 . . . . 0.0 112.745 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t -121.21 132.9 69.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.469 ' H ' HD22 ' A' ' 8' ' ' LEU . 69.1 mt -94.21 140.06 30.24 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.51 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -103.41 135.65 44.62 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 125.638 1.836 . . . . 0.0 108.043 -169.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.4 tp -125.95 -36.16 2.4 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.039 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -92.44 169.48 10.52 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 126.604 2.44 . . . . 0.0 109.906 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.91 150.64 31.67 Favored Glycine 0 N--CA 1.477 1.432 0 C-N-CA 117.536 -2.269 . . . . 0.0 108.982 166.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.523 ' C ' HH22 ' A' ' 42' ' ' ARG . . . . . . . . 0 CA--C 1.543 1.812 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.219 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.59 139.69 51.4 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 124.205 1.955 . . . . 0.0 115.707 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -128.07 167.28 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.874 0 O-C-N 120.927 -1.108 . . . . 0.0 109.058 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -125.48 130.11 51.14 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.277 -0.889 . . . . 0.0 110.207 -165.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -117.94 128.43 75.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 0 C-N-CA 125.194 1.398 . . . . 0.0 109.434 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -92.06 124.09 35.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 126.688 2.493 . . . . 0.0 108.746 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -82.56 -169.36 2.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.613 -161.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -20.46 64.71 Favored 'General case' 0 C--O 1.26 1.629 0 O-C-N 118.511 -2.618 . . . . 0.0 111.123 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 m -94.37 -23.93 17.59 Favored 'General case' 0 CA--C 1.585 2.311 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.48 -5.11 19.38 Favored Glycine 1 N--CA 1.524 4.533 0 C-N-CA 130.442 3.877 . . . . 0.0 113.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -70.04 157.98 36.52 Favored 'General case' 0 C--N 1.388 2.279 0 C-N-CA 125.785 1.634 . . . . 0.0 107.417 -171.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -111.37 121.57 45.57 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 123.252 1.501 . . . . 0.0 109.585 -172.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -122.03 135.22 62.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -107.44 126.51 52.59 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 mt -118.31 134.63 54.87 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -100.78 131.24 46.76 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 115.762 -2.066 . . . . 0.0 105.511 -172.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 m -159.87 155.59 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 125.306 1.629 . . . . 0.0 110.365 -160.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.25 31.7 mt-10 -93.34 145.06 29.31 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 102.902 -2.999 . . . . 0.0 102.902 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -43.89 -27.17 1.56 Allowed 'Trans proline' 1 C--N 1.26 -4.089 0 N-CA-C 121.262 3.524 . . . . 0.0 121.262 158.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p -79.86 -14.8 58.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 126.85 2.594 . . . . 0.0 108.994 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -66.45 142.25 57.63 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-O 124.18 1.943 . . . . 0.0 111.263 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.9 p -86.63 155.92 20.23 Favored 'General case' 0 CA--C 1.474 -1.978 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.1 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.65 -31.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 125.332 1.645 . . . . 0.0 110.608 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.0 -38.66 76.55 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.057 -2.277 . . . . 0.0 114.394 165.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.28 -42.2 65.82 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 124.28 1.032 . . . . 0.0 110.852 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -58.65 -35.4 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 CA-C-N 120.158 1.344 . . . . 0.0 110.846 173.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' HG22 ' A' ' 30' ' ' ILE . 53.9 mtmt -70.92 -32.57 69.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 119.413 -2.054 . . . . 0.0 116.35 170.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.68 95.28 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.521 1.763 . . . . 0.0 112.111 168.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -61.37 -42.36 98.59 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 116.276 -1.821 . . . . 0.0 115.099 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.444 HG22 ' HA ' ' A' ' 27' ' ' LYS . 8.2 tp -64.23 -36.44 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 167.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.23 -46.31 90.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 118.629 -2.544 . . . . 0.0 112.008 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -58.3 -48.3 80.94 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 125.099 1.5 . . . . 0.0 111.39 170.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -75.85 -34.74 60.07 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -134.97 4.69 3.27 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 119.19 -2.194 . . . . 0.0 113.001 -168.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 39.01 73.77 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-O 116.757 -2.135 . . . . 0.0 114.163 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.3 135.49 24.32 Favored Pre-proline 0 CA--C 1.598 2.793 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.586 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.22 110.9 0.61 Allowed 'Trans proline' 1 N--CA 1.542 4.367 0 C-N-CA 125.076 3.85 . . . . 0.0 108.462 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -72.11 -43.66 1.08 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 N-CA-C 116.429 1.665 . . . . 0.0 116.429 -161.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.23 -13.48 58.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 127.656 3.098 . . . . 0.0 112.975 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -79.1 -26.56 42.95 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 127.099 2.16 . . . . 0.0 114.069 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.93 154.29 18.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-O 124.47 2.081 . . . . 0.0 110.772 173.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -122.55 131.9 54.05 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-N 110.995 -2.821 . . . . 0.0 105.77 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.6 mt -77.1 132.42 38.86 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 124.512 2.101 . . . . 0.0 113.856 169.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mm -109.1 137.23 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.991 -2.368 . . . . 0.0 106.718 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -132.41 134.03 44.63 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 123.281 1.515 . . . . 0.0 109.899 168.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.259 . . 50.03 35.01 8.98 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 118.304 -2.747 . . . . 0.0 115.46 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -12.5 58.97 Favored Glycine 0 C--N 1.361 1.939 0 C-N-CA 124.973 1.273 . . . . 0.0 110.641 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -130.03 135.14 47.93 Favored 'General case' 0 C--O 1.197 -1.667 0 CA-C-O 123.429 1.585 . . . . 0.0 112.784 -162.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.72 151.75 44.55 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 113.044 -1.889 . . . . 0.0 110.507 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -115.51 130.23 56.81 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 112.929 -1.942 . . . . 0.0 108.025 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.51 138.59 32.69 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.117 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -54.77 -46.38 74.39 Favored 'General case' 0 C--O 1.258 1.541 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -166.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.41 -10.18 86.41 Favored Glycine 0 CA--C 1.566 3.243 0 CA-C-N 119.212 0.914 . . . . 0.0 115.119 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -82.8 161.31 22.03 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 126.005 1.65 . . . . 0.0 111.797 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 p -103.19 168.74 8.98 Favored 'General case' 0 C--N 1.371 1.509 0 O-C-N 121.144 -0.973 . . . . 0.0 110.489 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.39 -31.9 72.43 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 119.509 -0.876 . . . . 0.0 112.646 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 t -74.78 -28.06 60.59 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 123.641 0.776 . . . . 0.0 112.369 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.94 -48.15 80.77 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.84 1.781 . . . . 0.0 110.133 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -82.45 -17.56 44.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 112.815 -1.993 . . . . 0.0 114.241 176.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 69.1 53.45 0.46 Allowed 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 125.51 1.524 . . . . 0.0 112.69 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -99.37 116.36 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 O-C-N 118.92 -2.362 . . . . 0.0 109.547 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -94.26 162.44 13.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 1' ' ' MET 0.33 0.0 OUTLIER -42.97 150.24 0.17 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 178.564 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.294 40.1 mt-10 65.35 21.68 11.96 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 113.096 -1.866 . . . . 0.0 115.554 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -86.79 148.71 25.29 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.6 m -99.2 118.16 35.29 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 124.82 2.247 . . . . 0.0 115.233 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mp -108.62 147.07 32.4 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 119.458 -2.026 . . . . 0.0 107.985 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -108.67 134.74 51.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.2 134.89 35.32 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.969 0.89 . . . . 0.0 111.13 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.25 1.4 p -151.24 162.06 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 119.711 -1.868 . . . . 0.0 110.712 169.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.4 tp -72.05 137.76 47.39 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.503 -1.373 . . . . 0.0 111.827 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -67.04 157.87 32.43 Favored 'General case' 0 N--CA 1.509 2.5 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 48.0 mt -80.52 142.01 34.59 Favored 'General case' 0 N--CA 1.426 -1.641 0 O-C-N 121.23 -0.919 . . . . 0.0 111.623 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -138.08 156.33 47.89 Favored 'General case' 0 C--N 1.394 2.518 0 O-C-N 125.236 1.585 . . . . 0.0 112.321 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.58 -178.25 12.13 Favored Glycine 0 C--N 1.375 2.732 0 CA-C-O 115.805 -2.664 . . . . 0.0 114.64 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 2.191 0 O-C-N 129.85 3.912 . . . . 0.0 108.072 175.721 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 116.961 -1.495 . . . . 0.0 108.667 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -85.08 137.7 32.88 Favored 'General case' 0 C--O 1.181 -2.513 0 CA-C-N 119.753 1.16 . . . . 0.0 112.184 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 pt -138.4 161.05 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.496 0 O-C-N 125.961 2.038 . . . . 0.0 111.426 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.2 m-85 -127.87 128.09 44.56 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 114.371 -1.286 . . . . 0.0 107.692 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.65 129.49 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -87.72 100.37 12.78 Favored 'General case' 0 C--N 1.282 -2.352 0 O-C-N 125.582 1.802 . . . . 0.0 109.322 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 21.4 p -65.76 160.52 22.8 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.582 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.66 -45.36 63.35 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 125.951 2.032 . . . . 0.0 112.98 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -87.28 -8.0 57.23 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -163.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 26.0 4.54 Favored Glycine 0 C--N 1.363 2.037 0 CA-C-O 117.847 -1.529 . . . . 0.0 115.133 163.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -100.48 133.77 44.42 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 118.314 1.057 . . . . 0.0 110.105 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -84.74 106.67 16.46 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 123.777 0.673 . . . . 0.0 111.174 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 mm -101.75 120.1 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -171.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -82.7 135.04 35.12 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.006 -1.683 . . . . 0.0 108.997 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.12 164.32 31.01 Favored 'General case' 0 C--N 1.382 1.996 0 O-C-N 124.291 0.994 . . . . 0.0 112.092 170.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -121.45 124.83 45.41 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 123.708 1.718 . . . . 0.0 108.289 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.3 t -126.73 133.07 69.39 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 CA-C-N 112.837 -1.983 . . . . 0.0 109.167 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -59.76 123.98 74.11 Favored Pre-proline 0 N--CA 1.411 -2.382 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.885 164.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -73.95 0.98 7.61 Favored 'Trans proline' 0 CA--C 1.48 -2.184 0 N-CA-C 115.194 1.19 . . . . 0.0 115.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.32 -1.09 42.55 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 118.72 -1.192 . . . . 0.0 111.282 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -76.1 168.97 19.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.511 -1.368 . . . . 0.0 108.782 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 34.2 p -81.2 153.84 26.98 Favored 'General case' 0 CA--C 1.567 1.602 0 O-C-N 124.947 1.404 . . . . 0.0 110.353 171.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 mm -52.08 -32.12 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.966 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.85 -32.05 60.19 Favored 'General case' 0 N--CA 1.524 3.228 0 CA-C-O 124.11 1.91 . . . . 0.0 112.069 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -57.3 -40.71 78.42 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 118.723 -2.485 . . . . 0.0 115.655 173.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.53 -42.06 92.55 Favored 'Isoleucine or valine' 0 C--N 1.376 1.725 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -63.2 -38.57 91.7 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.03 82.6 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -64.74 -44.42 90.19 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 116.315 -1.802 . . . . 0.0 111.606 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.4 -35.13 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 CA-C-N 120.094 1.316 . . . . 0.0 111.848 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -60.45 -43.64 96.66 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 116.837 -1.554 . . . . 0.0 112.329 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -64.43 -53.03 54.73 Favored 'General case' 0 C--N 1.396 2.608 0 C-N-CA 125.651 1.58 . . . . 0.0 112.195 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 10.0 mmpt? -55.6 -48.66 74.51 Favored 'General case' 0 C--O 1.274 2.353 0 CA-C-O 125.143 2.402 . . . . 0.0 115.147 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -121.93 -8.15 8.89 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -165.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.76 18.2 79.14 Favored Glycine 0 N--CA 1.487 2.096 0 CA-C-N 120.634 1.561 . . . . 0.0 115.781 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mt -88.98 121.81 69.4 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 115.551 -2.166 . . . . 0.0 111.449 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.67 136.95 72.97 Favored 'Trans proline' 0 N--CA 1.507 2.291 0 C-N-CA 122.819 2.346 . . . . 0.0 111.822 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -80.42 -19.29 9.09 Favored 'Trans proline' 0 N--CA 1.517 2.888 0 CA-C-N 122.846 2.052 . . . . 0.0 115.783 -171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -68.22 -34.03 75.5 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 116.337 1.976 . . . . 0.0 116.337 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -79.63 -11.67 59.86 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.694 -1.594 . . . . 0.0 113.248 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.413 ' HA ' HD23 ' A' ' 71' ' ' LEU . 69.1 mt-30 -78.39 139.46 38.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 123.403 1.573 . . . . 0.0 111.682 -174.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.534 ' HB2' HG23 ' A' ' 70' ' ' VAL . 23.0 mmt85 -124.12 121.79 36.09 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 169.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.5 mt -95.83 140.49 30.53 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 126.302 2.251 . . . . 0.0 108.007 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.73 129.21 68.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -134.77 137.19 43.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 101.573 -3.491 . . . . 0.0 101.573 162.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 33.73 68.03 0.18 Allowed 'General case' 0 C--N 1.366 1.284 0 N-CA-C 121.178 3.77 . . . . 0.0 121.178 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.89 -20.91 44.59 Favored Glycine 0 N--CA 1.484 1.843 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 161.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -128.97 138.83 52.19 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-N 118.766 1.283 . . . . 0.0 113.248 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -73.13 121.14 19.75 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.65 137.36 58.06 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 128.113 2.565 . . . . 0.0 107.214 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -99.23 137.96 36.99 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-O 123.061 1.41 . . . . 0.0 107.471 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -52.23 -44.34 64.77 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -166.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.63 87.49 Favored Glycine 0 N--CA 1.487 2.098 0 O-C-N 126.992 2.683 . . . . 0.0 118.137 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 mtt-85 -91.26 172.73 8.34 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 118.7 1.25 . . . . 0.0 108.638 -176.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 55.6 p -97.25 160.37 14.37 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 118.452 0.569 . . . . 0.0 110.61 177.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.47 HD12 ' H ' ' A' ' 56' ' ' LEU . 5.9 mp -57.39 -34.77 69.22 Favored 'General case' 0 CA--C 1.564 1.507 0 O-C-N 125.901 2.001 . . . . 0.0 113.049 162.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.3 t -60.13 -33.82 72.67 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-O 115.089 -2.386 . . . . 0.0 113.655 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.24 -44.5 95.18 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.35 -3.72 55.97 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 126.441 2.338 . . . . 0.0 113.601 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 m120 62.62 47.1 5.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 118.788 0.722 . . . . 0.0 111.989 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -76.46 123.57 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -81.01 151.75 28.28 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.356 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -59.27 138.01 57.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 127.193 2.808 . . . . 0.0 111.548 167.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.291 30.3 mt-10 67.63 20.66 9.57 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.712 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.1 m -58.49 145.84 37.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.239 -1.538 . . . . 0.0 115.116 166.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 54.5 m -110.78 121.55 45.61 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 118.412 -0.804 . . . . 0.0 108.841 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.83 140.04 49.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.03 0.932 . . . . 0.0 109.237 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -92.47 148.29 22.22 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-O 124.297 1.999 . . . . 0.0 111.309 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 24.9 tp -108.88 111.25 22.86 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 112.215 -2.266 . . . . 0.0 114.79 171.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.534 HG23 ' HB2' ' A' ' 42' ' ' ARG . 8.5 m -113.01 151.15 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 168.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 41' ' ' GLN . 91.6 mt -124.88 134.59 52.63 Favored 'General case' 0 C--O 1.193 -1.88 0 O-C-N 124.569 1.168 . . . . 0.0 111.502 -174.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -65.21 149.87 49.17 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 125.6 2.619 . . . . 0.0 110.451 157.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.36 151.25 38.23 Favored 'General case' 0 CA--C 1.58 2.115 0 CA-C-N 110.562 -3.017 . . . . 0.0 112.644 165.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -79.77 169.16 18.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.491 166.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 137.87 48.46 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-O 117.504 -1.72 . . . . 0.0 110.592 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.335 0 CA-C-O 116.441 -2.311 . . . . 0.0 109.288 179.08 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 N--CA 1.551 4.592 0 CA-C-O 122.682 1.23 . . . . 0.0 108.841 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.34 136.02 49.46 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 166.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.91 162.6 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.543 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -104.47 158.18 16.65 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.803 2.24 . . . . 0.0 109.491 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 67' ' ' LEU . 38.1 t -130.07 127.9 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 25.1 tptp -119.71 126.84 52.05 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.125 1.44 . . . . 0.0 107.368 -170.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -113.18 158.07 20.9 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.478 1.132 . . . . 0.0 111.459 -165.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.23 -25.12 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.986 -1.071 . . . . 0.0 113.264 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -66.92 -18.01 65.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 169.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.57 38.43 3.46 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 116.206 1.242 . . . . 0.0 116.206 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -121.46 141.9 50.56 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -106.38 117.24 33.52 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 167.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.2 mm -106.91 134.1 49.56 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -98.98 125.11 44.36 Favored 'General case' 0 C--N 1.366 1.297 0 CA-C-O 123.722 1.725 . . . . 0.0 113.201 169.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 26' ' ' VAL . 1.7 pt? -140.46 139.2 35.13 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 117.772 -3.08 . . . . 0.0 109.437 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.49 118.02 35.79 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 112.058 -2.337 . . . . 0.0 111.449 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.83 163.6 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 124.9 1.375 . . . . 0.0 109.736 -161.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -116.44 160.73 34.96 Favored Pre-proline 0 C--O 1.192 -1.923 0 CA-C-O 115.916 -1.993 . . . . 0.0 111.181 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -67.63 -19.42 48.03 Favored 'Trans proline' 2 N--CA 1.544 4.49 0 N-CA-C 116.1 1.538 . . . . 0.0 116.1 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.2 p -79.71 -22.06 43.84 Favored 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 116.128 -1.891 . . . . 0.0 110.791 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.69 140.21 47.94 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 121.191 1.814 . . . . 0.0 111.781 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 p -89.78 158.28 17.57 Favored 'General case' 0 C--N 1.379 1.884 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.48 -31.88 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 CA-C-N 112.968 -1.924 . . . . 0.0 110.127 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.21 -53.08 55.92 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 161.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -57.67 -45.05 86.08 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.604 HG13 HD11 ' A' ' 15' ' ' LEU . 60.8 t -61.1 -39.9 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 CA-C-N 119.199 0.909 . . . . 0.0 113.312 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.45 -42.06 95.39 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 169.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' A' ' 31' ' ' GLN . . . -65.53 -36.67 84.52 Favored 'General case' 0 CA--C 1.576 1.951 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 175.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -63.35 -46.11 88.07 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 167.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.4 HD11 HD22 ' A' ' 15' ' ' LEU . 25.4 mm -69.39 -35.47 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.223 0 O-C-N 125.182 1.551 . . . . 0.0 111.012 174.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 1.7 tp-100 -56.51 -43.57 79.87 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.045 167.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -67.93 -45.95 72.85 Favored 'General case' 0 C--O 1.252 1.205 0 O-C-N 124.502 1.126 . . . . 0.0 113.49 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -66.13 -45.69 80.2 Favored 'General case' 0 C--O 1.257 1.464 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -119.74 -10.85 9.48 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.09 20.16 61.4 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 117.057 1.583 . . . . 0.0 117.057 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.525 HG21 HD21 ' A' ' 71' ' ' LEU . 18.3 mt -90.37 130.17 42.66 Favored Pre-proline 0 CA--C 1.577 1.987 0 CA-C-N 119.53 1.665 . . . . 0.0 107.073 -175.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -53.23 137.18 63.58 Favored 'Trans proline' 0 N--CA 1.528 3.553 0 C-N-CA 124.48 3.453 . . . . 0.0 111.077 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -87.07 15.2 2.23 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 CA-C-N 120.895 1.356 . . . . 0.0 110.429 -170.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -106.79 -23.61 12.34 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 125.823 1.649 . . . . 0.0 111.055 168.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -77.93 -37.24 48.14 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.86 -0.525 . . . . 0.0 109.822 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -48.55 133.01 17.06 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 118.548 2.795 . . . . 0.0 118.548 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -131.24 113.44 13.84 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 118.513 -2.617 . . . . 0.0 107.034 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -99.02 132.39 44.36 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-O 121.985 0.898 . . . . 0.0 111.572 -172.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mt -122.69 136.35 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.375 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -129.94 109.44 10.89 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.094 -2.321 . . . . 0.0 110.159 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.75 35.59 22.15 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.16 -8.59 30.71 Favored Glycine 0 C--N 1.376 2.78 0 N-CA-C 120.765 3.066 . . . . 0.0 120.765 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -78.03 124.91 28.59 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.333 1.453 . . . . 0.0 112.98 171.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -71.13 113.3 8.03 Favored 'General case' 0 C--O 1.26 1.639 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.06 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -79.67 116.45 19.87 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-O 122.204 1.002 . . . . 0.0 112.535 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -71.96 135.11 46.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.294 -1.504 . . . . 0.0 114.739 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.84 -44.93 82.6 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 -167.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.21 12.75 42.89 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-N 120.513 1.506 . . . . 0.0 112.417 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -89.43 147.26 24.12 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.975 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -88.56 171.4 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 125.646 1.841 . . . . 0.0 111.379 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -79.76 -21.28 44.62 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 115.719 -2.086 . . . . 0.0 109.529 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -55.73 -48.03 75.9 Favored 'General case' 0 C--N 1.376 1.744 0 O-C-N 125.383 1.677 . . . . 0.0 112.411 164.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -56.84 -41.62 78.21 Favored 'General case' 0 N--CA 1.513 2.701 0 C-N-CA 126.939 2.096 . . . . 0.0 114.776 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -79.54 -12.35 59.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 167.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.259 23.3 t-20 54.78 58.85 4.48 Favored 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 125.522 1.764 . . . . 0.0 114.024 -173.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -95.89 119.17 43.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -74.87 160.76 30.24 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 124.863 1.352 . . . . 0.0 110.781 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 148.84 10.24 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 0.0 113.539 167.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.346 62.7 mt-10 68.88 3.43 3.98 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 122.052 2.206 . . . . 0.0 116.401 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -63.42 155.49 28.86 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 125.082 1.488 . . . . 0.0 114.539 163.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.6 m -123.78 113.41 18.53 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.021 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' HB2' HG22 ' A' ' 5' ' ' VAL . 78.1 mt -85.55 150.42 24.68 Favored 'General case' 0 N--CA 1.42 -1.931 0 O-C-N 121.284 -0.885 . . . . 0.0 108.636 171.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -104.15 149.3 25.37 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.384 -1.447 . . . . 0.0 107.782 172.723 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.69 128.52 46.82 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 124.839 1.337 . . . . 0.0 110.846 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.83 154.62 34.53 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 173.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 36' ' ' ILE . 68.9 mt -108.17 159.47 16.58 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 118.308 -1.357 . . . . 0.0 109.661 -171.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -102.22 105.38 16.04 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 167.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.88 138.0 58.11 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 125.621 1.826 . . . . 0.0 114.117 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.285 71.6 mtt-85 -62.23 151.76 35.28 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 118.743 2.868 . . . . 0.0 118.743 -169.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 123.55 -2.92 9.48 Favored Glycine 0 CA--C 1.565 3.214 0 CA-C-N 114.006 -1.452 . . . . 0.0 113.576 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.447 0 N-CA-C 105.398 -3.081 . . . . 0.0 105.398 157.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.548 4.429 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -95.31 136.15 36.02 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.1 pt -126.78 158.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -124.74 136.14 53.61 Favored 'General case' 0 C--O 1.198 -1.626 0 CA-C-O 117.685 -1.15 . . . . 0.0 108.303 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.8 t -125.55 133.43 69.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -91.07 119.77 31.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.734 1.254 . . . . 0.0 112.11 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.4 p -101.02 176.25 5.33 Favored 'General case' 0 C--N 1.373 1.603 0 CA-C-N 113.92 -1.491 . . . . 0.0 111.883 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -50.68 -36.22 34.73 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 119.122 3.008 . . . . 0.0 119.122 -160.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.3 p -81.47 -8.33 59.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 116.202 -1.856 . . . . 0.0 115.365 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.3 41.97 Favored Glycine 0 N--CA 1.494 2.551 0 CA-C-N 121.496 1.953 . . . . 0.0 113.216 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -58.39 163.53 3.02 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-O 122.808 1.29 . . . . 0.0 113.988 168.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -109.21 129.04 55.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 119.024 -2.297 . . . . 0.0 110.147 171.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.7 mm -101.25 127.25 54.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-O 122.593 1.187 . . . . 0.0 112.111 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -95.59 135.32 37.41 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 120.214 -1.553 . . . . 0.0 111.191 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.7 mt -131.43 126.27 34.66 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.101 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -85.68 118.66 25.32 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.21 -2.181 . . . . 0.0 112.871 169.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.2 m -137.8 165.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.773 0 CA-C-N 111.459 -2.61 . . . . 0.0 113.128 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.03 156.67 44.97 Favored Pre-proline 0 N--CA 1.494 1.755 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.54 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -66.28 -15.04 46.82 Favored 'Trans proline' 0 N--CA 1.507 2.272 0 CA-C-N 121.501 1.572 . . . . 0.0 113.27 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -99.1 10.78 40.76 Favored 'General case' 0 N--CA 1.409 -2.475 0 O-C-N 126.589 2.431 . . . . 0.0 113.292 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -90.1 117.98 29.29 Favored 'General case' 0 C--N 1.376 1.726 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.8 p -63.74 151.24 42.61 Favored 'General case' 0 C--O 1.191 -1.989 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.73 -23.21 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 CA-C-O 123.162 1.458 . . . . 0.0 113.638 173.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.83 -43.73 73.27 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 119.185 -2.197 . . . . 0.0 116.645 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -71.03 -35.67 72.07 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-O 116.164 -1.874 . . . . 0.0 110.823 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.0 t -58.09 -46.46 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 125.101 1.501 . . . . 0.0 109.737 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -66.09 -42.78 88.85 Favored 'General case' 1 N--CA 1.551 4.609 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 169.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.34 47.1 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.283 -0.885 . . . . 0.0 111.238 166.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -65.1 -42.44 94.02 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.78 -26.47 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 CA-C-N 119.727 1.149 . . . . 0.0 111.665 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.52 82.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.858 -1.151 . . . . 0.0 112.363 169.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -64.06 -52.73 57.99 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 118.619 -1.233 . . . . 0.0 113.93 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -66.87 -49.19 66.45 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -172.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -117.35 -21.53 8.66 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 120.848 1.658 . . . . 0.0 108.183 -167.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.28 3.04 31.31 Favored Glycine 0 C--N 1.377 2.85 0 O-C-N 119.664 -1.898 . . . . 0.0 114.349 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mm -68.98 127.44 93.11 Favored Pre-proline 0 CA--C 1.552 1.029 0 CA-C-O 116.719 -1.61 . . . . 0.0 112.515 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -52.39 138.61 56.24 Favored 'Trans proline' 0 CA--C 1.571 2.351 0 CA-C-N 120.539 1.228 . . . . 0.0 114.31 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.427 35.4 Cg_exo -49.1 -42.63 38.68 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-O 113.078 -2.967 . . . . 0.0 117.75 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -79.42 -15.66 57.46 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.375 1.898 . . . . 0.0 112.738 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -91.28 18.21 7.35 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.272 0.942 . . . . 0.0 113.184 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -99.47 121.24 40.87 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 120.469 -1.395 . . . . 0.0 110.453 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' HB2' HG23 ' A' ' 70' ' ' VAL . 12.5 mmm180 -125.2 116.03 21.36 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 169.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.47 125.16 51.57 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -165.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.46 HD11 HG22 ' A' ' 70' ' ' VAL . 3.9 mp -111.58 145.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 109.972 -176.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.99 114.24 9.57 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 162.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.57 58.51 3.82 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -1.94 64.24 Favored Glycine 0 N--CA 1.493 2.469 0 CA-C-N 114.468 -1.242 . . . . 0.0 113.906 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -106.83 110.53 22.71 Favored 'General case' 0 C--N 1.383 2.041 0 CA-C-N 118.717 1.258 . . . . 0.0 109.057 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -63.21 122.35 15.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 166.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 59' ' ' TYR . 47.4 mt -91.79 123.13 34.94 Favored 'General case' 0 N--CA 1.518 2.97 0 O-C-N 124.371 1.045 . . . . 0.0 109.712 -168.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.255 17.4 mt-10 -92.25 142.61 27.29 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -167.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.64 -40.15 74.92 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -161.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 -7.04 88.5 Favored Glycine 0 N--CA 1.482 1.76 0 O-C-N 119.63 -1.918 . . . . 0.0 113.994 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -80.33 152.72 28.81 Favored 'General case' 0 CA--C 1.563 1.443 0 O-C-N 125.201 1.177 . . . . 0.0 113.839 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -93.66 173.7 7.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 123.718 1.723 . . . . 0.0 115.2 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -72.79 -24.5 60.93 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.979 -1.7 . . . . 0.0 112.126 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -80.02 -16.13 55.77 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.602 172.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.05 -21.99 60.69 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 120.549 1.522 . . . . 0.0 111.211 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.443 ' CD1' HD22 ' A' ' 50' ' ' LEU . 70.4 m-85 -111.79 16.17 20.58 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 117.019 -1.467 . . . . 0.0 108.133 174.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m120 43.34 48.31 5.86 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 126.048 1.739 . . . . 0.0 114.238 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.259 19.3 mt -78.82 126.51 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 O-C-N 119.763 -1.835 . . . . 0.0 110.161 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -88.62 166.86 13.83 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 119.291 -2.13 . . . . 0.0 111.323 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -53.73 145.52 15.5 Favored 'General case' 0 N--CA 1.523 3.196 0 O-C-N 119.539 -1.976 . . . . 0.0 115.306 170.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 66.4 11.61 8.12 Favored 'General case' 0 C--N 1.389 2.283 0 CA-C-O 117.277 -1.344 . . . . 0.0 113.686 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -71.27 162.46 29.4 Favored 'General case' 0 N--CA 1.539 3.986 0 C-N-CA 127.568 2.347 . . . . 0.0 107.494 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -119.06 126.86 52.68 Favored 'General case' 0 C--O 1.196 -1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 111.317 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.7 mp -100.86 159.93 14.79 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 113.057 -1.883 . . . . 0.0 109.217 173.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -123.58 126.43 46.64 Favored 'General case' 0 C--N 1.385 2.152 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.11 138.19 31.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 121.195 0.521 . . . . 0.0 110.42 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.46 HG22 HD11 ' A' ' 44' ' ' ILE . 23.7 m -122.29 153.9 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 156.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.5 tp -84.65 139.19 32.22 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -87.45 121.11 29.46 Favored 'General case' 0 C--N 1.378 1.81 0 O-C-N 126.01 2.069 . . . . 0.0 109.484 161.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.8 mt -89.46 150.44 22.49 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 112.46 -2.155 . . . . 0.0 110.005 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -82.2 163.33 21.97 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -170.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.6 22.65 76.72 Favored Glycine 0 N--CA 1.426 -1.984 0 CA-C-O 116.15 -2.472 . . . . 0.0 114.201 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 CA--C 1.598 5.245 0 CA-C-O 124.438 2.132 . . . . 0.0 116.571 169.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.641 0 CA-C-O 117.709 -1.138 . . . . 0.0 113.992 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -101.71 136.82 40.91 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-O 116.81 -1.567 . . . . 0.0 108.778 -170.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.88 171.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' HB2' ' HA ' ' A' ' 66' ' ' THR . 20.4 m-85 -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 120.65 -1.281 . . . . 0.0 109.818 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.48 118.75 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 CA-C-O 123.602 1.668 . . . . 0.0 110.438 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -110.84 119.58 39.55 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 111.385 -2.643 . . . . 0.0 113.518 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.0 p -76.99 166.97 22.61 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.6 17.12 4.86 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.928 0.871 . . . . 0.0 112.099 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -125.41 22.56 7.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 112.317 -2.22 . . . . 0.0 111.738 170.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.83 77.43 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 119.117 2.407 . . . . 0.0 119.117 164.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -107.55 116.74 32.48 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.909 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -98.79 120.0 38.49 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 127.679 3.112 . . . . 0.0 107.419 170.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.79 141.32 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.08 0 CA-C-N 111.828 -2.442 . . . . 0.0 110.393 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -94.88 126.58 40.31 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 125.653 1.846 . . . . 0.0 112.261 164.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.45 141.48 52.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -171.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -103.24 112.18 24.93 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.16 151.36 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -97.09 145.73 30.11 Favored Pre-proline 0 C--O 1.199 -1.57 0 CA-C-O 112.898 -3.429 . . . . 0.0 105.689 165.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.47 -4.64 15.73 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 CA-C-N 124.364 2.594 . . . . 0.0 117.577 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -97.11 -5.06 38.23 Favored 'General case' 0 C--O 1.186 -2.28 0 CA-C-N 122.457 2.389 . . . . 0.0 109.818 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.1 141.68 58.68 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 127.101 3.334 . . . . 0.0 111.989 166.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.4 p -71.74 151.46 43.55 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 117.483 -3.261 . . . . 0.0 109.191 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.75 -32.69 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 123.828 3.013 . . . . 0.0 113.688 174.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.38 -33.36 75.55 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.813 2.551 . . . . 0.0 117.585 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 19.6 t-20 -55.49 -42.86 75.0 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 126.093 2.121 . . . . 0.0 110.184 159.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.296 56.5 t -63.51 -39.95 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 124.323 3.238 . . . . 0.0 115.089 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 30' ' ' ILE . 30.1 mtmt -57.91 -37.33 73.84 Favored 'General case' 0 CA--C 1.585 2.32 0 CA-C-O 122.789 1.28 . . . . 0.0 111.215 168.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -60.25 -39.55 87.14 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 174.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -67.12 -36.74 82.56 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 165.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 27' ' ' LYS . 59.9 mt -61.38 -35.65 67.88 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 O-C-N 124.668 1.23 . . . . 0.0 113.528 171.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.25 -38.61 80.49 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 174.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.55 -21.55 66.41 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 171.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -100.32 -47.28 4.98 Favored 'General case' 0 N--CA 1.518 2.968 0 O-C-N 120.897 -1.127 . . . . 0.0 110.648 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -116.9 -8.02 11.35 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 115.313 -2.28 . . . . 0.0 110.668 -170.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.32 19.69 73.76 Favored Glycine 0 C--N 1.376 2.762 0 N-CA-C 120.861 3.104 . . . . 0.0 120.861 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mm -108.57 130.07 23.21 Favored Pre-proline 0 C--O 1.202 -1.413 0 CA-C-O 116.373 -1.775 . . . . 0.0 111.596 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -54.4 142.37 69.79 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.438 2.092 . . . . 0.0 111.304 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -45.2 4.95 Favored 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 126.904 5.069 . . . . 0.0 115.83 169.415 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -65.63 -14.36 61.02 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -101.67 0.08 35.51 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -108.04 144.48 35.32 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -146.99 131.23 17.44 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.167 169.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.22 148.29 24.43 Favored 'General case' 0 N--CA 1.419 -2.013 0 C-N-CA 125.63 1.572 . . . . 0.0 111.43 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -125.0 131.12 72.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.311 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -139.27 133.61 31.5 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.286 . . 42.62 44.71 3.76 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.17 25.98 67.4 Favored Glycine 0 N--CA 1.472 1.035 0 O-C-N 125.553 1.783 . . . . 0.0 113.043 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.361 23.0 pttm -156.83 155.57 31.73 Favored 'General case' 0 N--CA 1.534 3.729 0 O-C-N 119.571 -2.135 . . . . 0.0 110.794 168.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -46.45 137.73 6.33 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 128.342 2.657 . . . . 0.0 115.864 171.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.7 mt -85.79 124.96 32.88 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 167.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.81 103.03 4.21 Favored 'General case' 0 C--N 1.397 2.656 0 O-C-N 120.328 -1.482 . . . . 0.0 111.056 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -15.05 -65.47 0.01 OUTLIER 'General case' 0 C--O 1.256 1.424 0 C-N-CA 127.984 2.514 . . . . 0.0 116.627 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.65 -23.12 70.4 Favored Glycine 0 CA--C 1.546 1.972 0 N-CA-C 117.851 1.9 . . . . 0.0 117.851 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -68.8 163.14 24.83 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.85 -1.97 . . . . 0.0 113.531 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.6 p -96.23 159.15 15.1 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.07 1.891 . . . . 0.0 115.462 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.45 -34.87 73.06 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 119.715 -1.866 . . . . 0.0 111.643 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.7 t -61.25 -40.51 94.32 Favored 'General case' 0 N--CA 1.51 2.557 0 C-N-CA 126.699 1.999 . . . . 0.0 106.215 167.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -64.04 -36.05 82.71 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 121.434 1.924 . . . . 0.0 113.416 -175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.95 5.91 50.18 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 40.45 53.54 2.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 -166.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.1 mt -84.55 109.92 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.275 1.43 . . . . 0.0 111.932 -175.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -94.28 166.66 11.99 Favored 'General case' 0 C--N 1.379 1.877 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -168.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -44.01 131.36 5.81 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 173.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 68.87 21.29 7.66 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.493 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.5 m -71.6 137.34 47.9 Favored 'General case' 0 C--N 1.38 1.901 0 O-C-N 120.561 -1.337 . . . . 0.0 110.431 161.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.466 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 57.0 m -101.92 112.57 25.24 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 -176.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.99 123.67 48.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.64 1.213 . . . . 0.0 110.181 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -71.85 136.38 46.96 Favored 'General case' 0 C--N 1.362 1.15 0 O-C-N 120.036 -1.665 . . . . 0.0 107.734 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -112.37 127.2 55.94 Favored 'General case' 0 N--CA 1.518 2.927 0 O-C-N 127.219 2.824 . . . . 0.0 107.024 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.6 t -118.41 127.94 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.967 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 71' ' ' LEU . 45.2 mt -87.31 141.18 28.83 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-N 112.215 -2.266 . . . . 0.0 109.599 169.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -90.99 100.18 13.09 Favored 'General case' 0 C--N 1.383 2.039 0 C-N-CA 125.558 1.543 . . . . 0.0 110.997 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.448 ' HA ' HD13 ' A' ' 73' ' ' LEU . 4.2 mm? -107.99 -11.13 15.38 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 170.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -129.81 164.26 24.46 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 122.495 1.141 . . . . 0.0 113.284 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.35 139.59 8.7 Favored Glycine 0 N--CA 1.489 2.211 0 CA-C-N 113.459 -1.701 . . . . 0.0 117.032 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 3.058 0 CA-C-O 116.488 -2.285 . . . . 0.0 115.008 174.819 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 121.843 0.83 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -89.74 149.89 22.54 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 172.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.293 2.2 pp -141.23 154.07 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.076 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.788 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -111.25 136.72 49.92 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.512 -1.367 . . . . 0.0 111.57 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.43 134.56 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -97.97 114.65 26.83 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 112.503 -2.135 . . . . 0.0 107.92 170.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 44.8 p -75.07 163.81 27.19 Favored 'General case' 0 CA--C 1.589 2.465 0 O-C-N 117.061 -3.524 . . . . 0.0 114.617 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.86 -30.3 68.88 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 124.907 1.283 . . . . 0.0 113.319 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 m -68.72 -32.53 72.39 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-O 118.348 -0.834 . . . . 0.0 112.058 173.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.3 30.01 4.59 Favored Glycine 0 CA--C 1.543 1.825 0 O-C-N 125.728 1.893 . . . . 0.0 113.454 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -96.09 143.38 27.28 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-O 121.363 0.601 . . . . 0.0 109.384 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -102.19 121.61 42.58 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 121.195 -0.941 . . . . 0.0 108.506 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.7 mm -101.39 139.14 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -107.9 128.97 55.09 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mp -129.14 132.62 47.37 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.594 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -89.15 116.15 27.2 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-O 123.988 1.851 . . . . 0.0 112.535 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -143.28 162.82 16.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.742 0 CA-C-O 122.691 1.234 . . . . 0.0 109.702 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -95.76 156.13 37.68 Favored Pre-proline 0 C--O 1.205 -1.247 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.345 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.307 41.0 Cg_endo -60.64 -13.96 28.72 Favored 'Trans proline' 0 C--N 1.291 -2.463 0 CA-C-O 116.98 -1.342 . . . . 0.0 115.125 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -102.64 -0.26 32.15 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 122.981 2.628 . . . . 0.0 106.562 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -73.46 147.28 44.3 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 121.808 2.094 . . . . 0.0 109.85 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 59.3 p -88.28 165.66 14.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 120.212 1.369 . . . . 0.0 112.988 -176.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -60.22 -38.38 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.813 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.36 -50.12 63.01 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.231 -0.918 . . . . 0.0 111.56 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -64.53 -34.41 78.17 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 119.938 -1.727 . . . . 0.0 113.384 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.6 t -57.4 -51.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.746 0 CA-C-O 121.854 0.835 . . . . 0.0 109.571 170.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.46 -32.23 66.74 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 117.753 -3.092 . . . . 0.0 116.296 168.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.82 95.78 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.174 -1.811 . . . . 0.0 114.725 166.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -58.83 -43.5 90.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 118.923 0.783 . . . . 0.0 111.66 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mm -61.98 -36.83 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.038 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HA ' ' H ' ' A' ' 36' ' ' ILE . 32.2 tp60 -63.4 -48.81 76.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 125.384 1.677 . . . . 0.0 111.836 174.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -61.87 -43.65 98.41 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -88.49 -32.14 18.38 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 116.499 -1.715 . . . . 0.0 111.247 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -113.31 -4.93 13.61 Favored 'General case' 0 C--N 1.374 1.659 0 CA-C-O 115.073 -2.394 . . . . 0.0 115.059 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.23 58.15 13.83 Favored Glycine 0 C--O 1.192 -2.524 0 O-C-N 125.776 1.922 . . . . 0.0 110.786 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.454 ' H ' ' HA ' ' A' ' 31' ' ' GLN . 9.8 mt -128.45 112.78 19.49 Favored Pre-proline 0 CA--C 1.587 2.393 0 CA-C-N 118.236 1.018 . . . . 0.0 110.12 -172.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -35.01 117.59 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.679 0 C-N-CA 124.272 3.315 . . . . 0.0 116.307 174.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 9.8 Cg_endo -65.87 -27.99 50.98 Favored 'Trans proline' 0 CA--C 1.493 -1.537 0 O-C-N 122.804 0.897 . . . . 0.0 111.22 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.33 -23.14 57.23 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.899 -1.125 . . . . 0.0 111.048 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -91.21 -13.41 32.89 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -69.0 125.73 27.57 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.751 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -112.34 113.08 25.11 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 125.042 1.464 . . . . 0.0 111.835 162.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' A' ' 69' ' ' LEU . 50.8 mt -92.79 130.17 38.49 Favored 'General case' 0 C--O 1.25 1.111 0 CA-C-O 122.737 1.256 . . . . 0.0 109.332 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' C ' ' A' ' 43' ' ' LEU . 3.9 mm -118.55 128.89 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.176 -176.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -133.26 114.69 14.07 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.4 29.27 8.54 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -168.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.34 8.18 81.6 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-O 117.762 -1.577 . . . . 0.0 115.566 176.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -121.22 128.57 52.55 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.32 -3.585 . . . . 0.0 101.32 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.69 146.35 54.9 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.364 1.665 . . . . 0.0 111.365 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -112.41 149.12 32.98 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 125.065 1.478 . . . . 0.0 112.071 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -92.24 145.14 24.72 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 123.951 1.834 . . . . 0.0 115.583 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.91 -35.58 75.18 Favored 'General case' 0 C--N 1.372 1.575 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.36 -15.99 79.0 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.253 1.6 mpp_? -86.23 165.16 16.71 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 14.2 p -110.77 167.82 9.94 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.006 -1.906 . . . . 0.0 109.89 -176.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.16 -35.61 79.34 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 111.796 -2.456 . . . . 0.0 111.627 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 m -72.29 -26.93 62.16 Favored 'General case' 0 C--N 1.367 1.369 0 CA-C-O 114.406 -2.711 . . . . 0.0 110.241 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.17 -17.93 65.03 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-N 123.211 2.732 . . . . 0.0 112.636 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -112.11 11.91 20.46 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 116.728 -1.606 . . . . 0.0 113.28 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.6 m120 53.32 59.44 4.39 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 127.551 3.032 . . . . 0.0 114.134 -169.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -92.3 118.49 37.96 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.445 0 O-C-N 120.135 -1.603 . . . . 0.0 110.838 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -83.96 170.92 13.49 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 125.227 1.579 . . . . 0.0 112.135 171.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.712 3.149 . . . . 0.0 111.408 170.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 44.8 mt-10 81.77 14.75 0.53 Allowed 'General case' 0 C--O 1.259 1.597 0 C-N-CA 130.538 3.535 . . . . 0.0 108.587 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -68.07 142.53 55.81 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 117.554 -1.658 . . . . 0.0 111.065 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 m -98.28 117.8 33.49 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 113.58 -1.645 . . . . 0.0 114.889 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.67 166.35 11.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -129.75 144.75 51.45 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 124.843 1.257 . . . . 0.0 109.485 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 52.2 tp -123.34 134.83 53.98 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.776 1.751 . . . . 0.0 108.901 -171.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.09 114.52 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.587 0 N-CA-C 101.754 -3.425 . . . . 0.0 101.754 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 tp -93.23 132.2 37.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 125.307 1.629 . . . . 0.0 106.615 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -101.76 154.77 18.6 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-O 123.823 1.773 . . . . 0.0 113.575 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.43 141.95 37.92 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-O 125.183 2.42 . . . . 0.0 114.194 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -66.48 128.06 34.74 Favored 'General case' 0 N--CA 1.529 3.484 0 O-C-N 119.214 -2.179 . . . . 0.0 111.949 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.67 -132.32 3.27 Favored Glycine 0 C--O 1.197 -2.183 0 O-C-N 120.141 -1.599 . . . . 0.0 111.877 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.409 0 CA-C-O 114.672 -3.293 . . . . 0.0 112.796 -175.573 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.198 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -93.93 137.23 33.38 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.742 0.782 . . . . 0.0 109.095 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.66 162.26 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 122.61 1.195 . . . . 0.0 108.105 166.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -107.63 145.09 33.78 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.381 -1.449 . . . . 0.0 110.083 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -123.23 112.7 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.894 0 O-C-N 120.828 -1.17 . . . . 0.0 109.686 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.94 124.94 34.71 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -80.21 166.68 21.18 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.93 -35.5 78.53 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 115.598 -2.144 . . . . 0.0 112.793 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -67.95 -32.01 72.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.101 2.16 . . . . 0.0 112.339 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.56 8.81 6.17 Favored Glycine 0 CA--C 1.502 -0.738 0 O-C-N 121.06 -1.025 . . . . 0.0 113.07 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -82.88 164.15 20.68 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.7 m -115.78 131.13 57.03 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mm -111.38 132.42 59.97 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-N 121.782 2.083 . . . . 0.0 108.717 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -100.55 134.85 42.9 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -150.8 157.58 43.11 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -93.57 134.06 36.24 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.156 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 164.91 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 CA-C-N 120.367 1.439 . . . . 0.0 111.136 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.63 166.98 12.19 Favored Pre-proline 0 CA--C 1.568 1.671 0 O-C-N 125.925 2.016 . . . . 0.0 106.969 171.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -67.38 -31.12 35.46 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 117.719 -1.054 . . . . 0.0 110.36 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 p -85.92 -0.7 56.1 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -73.06 148.95 43.57 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-O 125.079 2.371 . . . . 0.0 111.28 165.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 p -100.11 165.8 11.33 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 112.657 -2.065 . . . . 0.0 109.815 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.01 -32.7 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.224 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -50.35 -39.55 46.57 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 115.038 -2.41 . . . . 0.0 114.146 162.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -69.71 -32.04 70.41 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 123.71 2.959 . . . . 0.0 111.251 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.79 -46.25 94.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.68 -43.39 89.92 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.42 86.3 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.082 0.855 . . . . 0.0 113.01 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -64.08 -37.37 87.19 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.12 -36.55 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 119.578 -1.951 . . . . 0.0 111.67 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -46.96 -54.99 8.89 Favored 'General case' 0 C--N 1.394 2.513 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 167.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.258 30.3 m-20 -58.08 -51.16 70.85 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -62.37 -44.06 97.35 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 126.57 1.948 . . . . 0.0 115.122 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -120.6 -5.89 9.73 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 121.488 1.949 . . . . 0.0 112.786 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.63 52.36 30.43 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-O 117.006 -1.997 . . . . 0.0 116.918 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.33 114.34 31.88 Favored Pre-proline 0 CA--C 1.562 1.421 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -59.9 141.08 95.87 Favored 'Trans proline' 0 N--CA 1.508 2.34 0 N-CA-C 117.092 1.92 . . . . 0.0 117.092 -168.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -70.73 -21.4 29.03 Favored 'Trans proline' 0 C--N 1.296 -2.213 0 N-CA-C 117.732 2.166 . . . . 0.0 117.732 -170.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -77.77 -17.36 57.6 Favored 'General case' 0 C--O 1.264 1.844 0 CA-C-N 120.285 1.402 . . . . 0.0 112.047 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.86 -18.58 37.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.554 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -89.62 149.53 22.78 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 123.002 1.382 . . . . 0.0 111.66 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -148.74 142.87 25.99 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 167.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.274 62.1 mt -112.43 154.3 26.04 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 125.521 2.582 . . . . 0.0 112.982 -174.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -139.72 139.53 37.82 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 109.85 -3.341 . . . . 0.0 104.766 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -132.41 115.48 15.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 119.715 -1.865 . . . . 0.0 107.433 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.307 . . 65.37 33.6 8.85 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 120.865 3.654 . . . . 0.0 120.865 162.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.03 -6.58 37.21 Favored Glycine 0 C--N 1.362 1.989 0 CA-C-O 117.929 -1.484 . . . . 0.0 114.946 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.47 146.32 30.51 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.936 2.868 . . . . 0.0 113.996 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.39 154.47 41.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 119.565 -1.96 . . . . 0.0 112.635 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -121.09 132.68 55.02 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.607 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -74.79 144.48 43.51 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.057 1.343 . . . . 0.0 110.255 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -58.71 -40.72 84.5 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 -18.58 77.95 Favored Glycine 0 C--N 1.359 1.809 0 N-CA-C 118.525 2.17 . . . . 0.0 118.525 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -70.08 152.23 44.6 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.654 1.582 . . . . 0.0 114.053 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -95.39 166.45 11.87 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.54 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.79 -28.69 70.04 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.631 2.157 . . . . 0.0 115.429 173.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -75.75 -31.33 59.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.086 -1.416 . . . . 0.0 113.663 173.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 116.222 -1.847 . . . . 0.0 114.641 165.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -67.26 -27.43 67.2 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.786 167.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.257 35.4 m120 67.7 49.98 0.92 Allowed 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.692 1.133 . . . . 0.0 110.867 -167.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -89.5 113.62 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.187 0 CA-C-O 125.112 2.387 . . . . 0.0 112.208 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -64.65 155.8 32.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 111.577 -2.556 . . . . 0.0 113.384 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.97 155.8 5.92 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 172.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 39.7 mt-10 59.97 32.0 20.92 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.3 m -108.78 140.48 42.15 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 119.592 -1.942 . . . . 0.0 110.981 -163.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 84.7 m -95.77 108.78 21.14 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.759 -1.213 . . . . 0.0 113.433 -168.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.3 167.3 12.4 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.185 1.794 . . . . 0.0 106.477 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -123.04 157.46 32.73 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.849 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.3 tp -118.78 139.89 50.84 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 112.51 -2.132 . . . . 0.0 106.908 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.44 157.55 30.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 161.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.6 mt -126.36 137.99 53.52 Favored 'General case' 0 CA--C 1.562 1.406 0 O-C-N 119.439 -2.038 . . . . 0.0 109.769 -163.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -94.31 110.78 22.51 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.381 1.05 . . . . 0.0 109.075 167.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.0 mt -69.67 151.49 45.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 125.572 1.795 . . . . 0.0 112.285 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -60.87 153.4 24.81 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 122.496 1.141 . . . . 0.0 112.489 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.27 3.93 56.48 Favored Glycine 0 C--N 1.383 3.14 0 O-C-N 117.288 -3.383 . . . . 0.0 116.749 167.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.086 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 178.241 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 117.245 -1.36 . . . . 0.0 112.697 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -74.01 138.59 44.2 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 121.132 1.787 . . . . 0.0 111.17 171.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.71 172.68 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 165.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -124.02 143.6 50.33 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.3 t -134.58 121.77 36.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 O-C-N 119.807 -1.808 . . . . 0.0 107.539 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -73.15 125.93 28.86 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 p -86.21 -170.09 2.94 Favored 'General case' 0 N--CA 1.517 2.883 0 O-C-N 121.467 -0.771 . . . . 0.0 112.1 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.75 23.61 12.9 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-N 120.326 1.421 . . . . 0.0 113.475 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -115.84 4.77 13.97 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.47 1.508 . . . . 0.0 111.344 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.11 23.94 18.42 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -116.44 143.35 45.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.015 1.726 . . . . 0.0 115.107 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -106.92 111.11 23.46 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 168.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.73 142.66 13.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.0 m -108.25 124.69 50.7 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 123.41 2.823 . . . . 0.0 107.155 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.24 144.74 47.6 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 115.896 -2.002 . . . . 0.0 111.633 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.16 124.37 40.14 Favored 'General case' 0 N--CA 1.42 -1.925 0 O-C-N 127.135 2.772 . . . . 0.0 108.039 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.17 164.53 27.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -96.3 158.43 33.93 Favored Pre-proline 0 CA--C 1.573 1.858 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 164.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -67.92 -27.92 36.32 Favored 'Trans proline' 0 C--N 1.288 -2.645 0 CA-C-O 116.299 -1.626 . . . . 0.0 113.618 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 p -85.28 16.55 3.56 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.647 2.021 . . . . 0.0 115.467 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.25 143.58 45.03 Favored 'General case' 0 CA--C 1.573 1.829 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 167.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 55' ' ' THR 0.265 77.5 p -76.65 163.58 26.72 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 120.914 -1.117 . . . . 0.0 112.52 171.371 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.98 -40.09 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 O-C-N 124.326 1.016 . . . . 0.0 112.633 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -37.74 -45.88 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 160.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -70.03 -21.61 63.17 Favored 'General case' 0 CA--C 1.457 -2.599 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.47 -45.72 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 CA-C-N 118.025 0.375 . . . . 0.0 110.735 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -59.04 -37.77 77.75 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.58 76.34 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 124.392 1.077 . . . . 0.0 113.405 173.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -69.04 -39.42 79.2 Favored 'General case' 0 C--O 1.194 -1.866 0 C-N-CA 117.821 -1.552 . . . . 0.0 109.925 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.43 -38.25 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 119.331 -2.106 . . . . 0.0 116.676 170.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -56.53 -47.81 78.6 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 121.281 1.855 . . . . 0.0 112.857 164.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.05 -44.07 97.94 Favored 'General case' 0 CA--C 1.576 1.953 0 C-N-CA 117.678 -1.609 . . . . 0.0 111.798 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -81.35 -34.6 31.67 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-O 114.572 -2.632 . . . . 0.0 117.773 -171.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -127.18 -4.32 6.2 Favored 'General case' 0 N--CA 1.527 3.416 0 CA-C-N 122.449 2.386 . . . . 0.0 110.396 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.71 8.8 82.29 Favored Glycine 0 N--CA 1.483 1.775 0 C-N-CA 123.626 0.631 . . . . 0.0 114.272 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.1 mt -83.94 126.13 71.16 Favored Pre-proline 0 N--CA 1.41 -2.465 0 CA-C-O 123.357 1.551 . . . . 0.0 108.637 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.66 142.1 62.17 Favored 'Trans proline' 0 C--N 1.262 -3.978 0 O-C-N 116.534 -2.403 . . . . 0.0 117.965 174.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.97 -27.42 58.26 Favored 'Trans proline' 0 N--CA 1.526 3.43 0 C-N-CA 123.158 2.572 . . . . 0.0 111.391 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -85.13 -22.14 28.97 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -90.7 5.28 48.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 124.926 1.391 . . . . 0.0 111.407 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -133.34 158.32 43.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 118.841 -2.412 . . . . 0.0 108.628 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -132.4 146.64 52.1 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 127.145 2.778 . . . . 0.0 109.035 170.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 mt -109.04 137.39 47.02 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 118.535 -2.603 . . . . 0.0 110.427 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 22.5 mm -121.23 150.61 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 N-CA-C 103.854 -2.646 . . . . 0.0 103.854 -169.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -141.39 136.26 31.24 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 104.33 -2.47 . . . . 0.0 104.33 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.86 1.21 Allowed 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.152 -1.592 . . . . 0.0 114.704 173.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 -4.45 65.34 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-O 116.604 -2.22 . . . . 0.0 116.062 -167.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -115.61 146.92 41.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -165.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -109.78 130.44 55.52 Favored 'General case' 0 CA--C 1.5 -0.95 0 O-C-N 119.953 -1.717 . . . . 0.0 106.798 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD22 ' CG ' ' A' ' 59' ' ' TYR . 26.0 mt -95.69 139.56 31.76 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 123.699 1.714 . . . . 0.0 113.792 -172.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -72.29 128.53 35.94 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.179 0.99 . . . . 0.0 113.179 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.75 -45.91 70.72 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 110.259 -3.155 . . . . 0.0 119.01 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -1.79 80.49 Favored Glycine 0 N--CA 1.483 1.784 0 CA-C-O 117.923 -1.487 . . . . 0.0 114.444 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -88.55 -179.92 6.15 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 118.402 1.101 . . . . 0.0 109.079 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 45.6 p -114.04 161.39 17.78 Favored 'General case' 0 CA--C 1.467 -2.246 0 C-N-CA 117.557 -1.657 . . . . 0.0 108.822 -171.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.56 -36.65 81.23 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 112.468 -2.151 . . . . 0.0 109.472 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -60.23 -43.12 96.3 Favored 'General case' 0 C--O 1.27 2.136 0 O-C-N 125.566 1.791 . . . . 0.0 109.317 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.82 -37.17 86.72 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 118.458 -2.651 . . . . 0.0 113.468 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CG ' HD22 ' A' ' 50' ' ' LEU . 45.1 m-85 -91.91 8.24 38.32 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 118.499 -2.626 . . . . 0.0 110.061 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 64.42 32.74 11.72 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 124.633 1.173 . . . . 0.0 110.604 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm -76.88 114.44 17.25 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 CA-C-O 124.019 1.866 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.58 161.61 13.58 Favored 'General case' 0 CA--C 1.557 1.231 0 O-C-N 118.571 -2.581 . . . . 0.0 110.164 -175.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -25.63 125.35 0.05 Allowed 'General case' 0 C--N 1.4 2.787 0 C-N-CA 126.845 2.058 . . . . 0.0 115.239 164.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.378 88.9 mt-10 72.97 21.85 3.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.932 2.093 . . . . 0.0 112.941 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.9 m -73.81 148.4 42.5 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-O 117.461 -1.257 . . . . 0.0 108.69 173.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.0 m -102.47 118.59 37.18 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 127.04 2.712 . . . . 0.0 106.959 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.8 mt -105.67 162.69 13.3 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -133.83 155.26 50.15 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tt -101.06 146.78 27.0 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 126.845 2.591 . . . . 0.0 108.172 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.88 144.83 34.53 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.623 0 CA-C-O 116.245 -1.836 . . . . 0.0 110.351 167.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 mt -113.59 122.48 47.33 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-O 123.842 1.782 . . . . 0.0 108.503 -173.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -155.36 157.49 37.2 Favored 'General case' 0 CA--C 1.567 1.609 0 CA-C-O 123.385 1.564 . . . . 0.0 110.572 -170.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.5 tp -52.9 146.45 10.79 Favored 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -171.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -50.78 161.67 0.33 Allowed 'General case' 0 C--N 1.383 2.029 0 CA-C-O 124.754 2.216 . . . . 0.0 115.251 164.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.35 -116.63 3.26 Favored Glycine 0 CA--C 1.547 2.067 0 CA-C-N 111.733 -2.485 . . . . 0.0 109.017 168.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 CA-C-O 113.699 -3.834 . . . . 0.0 111.287 169.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.728 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.482 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -101.55 138.0 39.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.699 0.681 . . . . 0.0 112.232 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -123.03 171.95 11.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 165.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.01 151.95 35.68 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.35 136.62 59.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 122.573 1.178 . . . . 0.0 109.006 165.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -94.3 125.57 39.03 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 114.111 -1.404 . . . . 0.0 110.709 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -92.66 169.57 10.4 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 119.784 1.175 . . . . 0.0 109.711 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.722 HD11 ' H ' ' A' ' 71' ' ' LEU . 63.0 mt -61.83 -39.95 93.59 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 125.193 1.397 . . . . 0.0 110.865 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -69.75 -8.66 49.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.053 -1.885 . . . . 0.0 112.977 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.14 27.21 37.78 Favored Glycine 0 CA--C 1.558 2.731 0 CA-C-O 117.68 -1.622 . . . . 0.0 115.988 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -97.24 132.78 42.66 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 119.13 1.465 . . . . 0.0 109.278 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -91.73 110.32 21.66 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.423 1.106 . . . . 0.0 108.146 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.8 pt -109.26 150.27 12.03 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.557 -173.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 m -120.27 121.88 39.65 Favored 'General case' 0 C--N 1.385 2.11 0 CA-C-O 122.504 1.145 . . . . 0.0 111.366 -167.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 mt -119.3 129.76 55.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.634 -2.075 . . . . 0.0 105.469 -163.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -108.72 127.46 54.01 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -153.93 165.06 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 124.202 1.001 . . . . 0.0 109.176 -161.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -113.79 152.57 45.69 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 102.462 -3.162 . . . . 0.0 102.462 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -81.61 -1.03 10.77 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 CA-C-N 120.689 1.282 . . . . 0.0 113.416 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -16.74 28.84 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.098 -1.001 . . . . 0.0 110.162 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -55.5 139.88 42.32 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.521 0.329 . . . . 0.0 111.498 174.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 41.3 p -77.8 162.44 26.9 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 121.383 -0.823 . . . . 0.0 111.528 173.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.98 -36.71 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.63 -36.09 71.36 Favored 'General case' 0 C--O 1.269 2.129 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 168.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -69.68 -33.25 72.29 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 119.854 1.207 . . . . 0.0 109.28 170.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.287 39.5 t -62.33 -42.68 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 113.382 -1.735 . . . . 0.0 109.698 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -65.78 -29.26 69.73 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 112.798 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.9 79.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.466 1.104 . . . . 0.0 112.318 171.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -63.25 -33.07 74.71 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 119.23 -2.169 . . . . 0.0 112.565 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.92 -35.6 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.886 -0.509 . . . . 0.0 111.145 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -44.2 96.53 Favored 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 117.077 -1.439 . . . . 0.0 111.693 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -56.31 -49.69 73.57 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.424 1.465 . . . . 0.0 109.659 169.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -83.75 -38.24 21.62 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.75 10.16 8.96 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.86 68.91 Favored Glycine 0 N--CA 1.467 0.741 0 CA-C-N 114.172 -1.376 . . . . 0.0 114.462 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.1 mt -91.63 129.56 42.19 Favored Pre-proline 0 C--O 1.164 -3.407 0 CA-C-N 119.51 1.655 . . . . 0.0 109.856 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -51.08 122.29 9.73 Favored 'Trans proline' 0 N--CA 1.527 3.456 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 166.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -63.7 -35.13 59.68 Favored 'Trans proline' 1 N--CA 1.537 4.076 0 N-CA-C 117.784 2.186 . . . . 0.0 117.784 -172.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.43 -40.47 1.77 Allowed 'General case' 0 C--O 1.266 1.928 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 162.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -76.31 -14.03 60.12 Favored 'General case' 0 CA--C 1.576 1.972 0 O-C-N 117.595 -3.191 . . . . 0.0 113.266 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -85.12 123.41 30.61 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.188 1.947 . . . . 0.0 113.592 -158.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -118.29 107.86 14.41 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 118.107 -2.87 . . . . 0.0 105.936 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -95.34 119.94 34.71 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.1 mm -111.65 124.29 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.544 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -124.87 135.18 52.66 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 102.737 -3.061 . . . . 0.0 102.737 175.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.18 29.94 19.44 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 170.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.29 7.59 82.63 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 115.907 1.123 . . . . 0.0 115.907 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -148.55 140.72 24.05 Favored 'General case' 0 CA--C 1.567 1.632 0 CA-C-O 126.247 2.927 . . . . 0.0 112.934 -172.666 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.66 151.33 47.58 Favored 'General case' 0 CA--C 1.566 1.593 0 O-C-N 117.051 -3.531 . . . . 0.0 110.084 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.99 141.58 30.77 Favored 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.36 123.17 20.49 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.921 0.867 . . . . 0.0 109.753 168.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.36 -44.86 95.19 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -164.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.48 -7.65 53.7 Favored Glycine 0 N--CA 1.487 2.099 0 C-N-CA 126.691 2.091 . . . . 0.0 116.376 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -90.41 172.86 8.44 Favored 'General case' 0 N--CA 1.414 -2.252 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 63.9 p -104.67 164.53 11.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.336 1.454 . . . . 0.0 112.772 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.12 -34.98 72.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.061 1.344 . . . . 0.0 111.038 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -67.52 -33.3 74.79 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.197 -2.19 . . . . 0.0 110.596 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.82 -28.89 69.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.78 1.3 . . . . 0.0 113.72 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.22 10.16 41.97 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 119.328 -2.108 . . . . 0.0 112.038 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.4 m120 69.1 30.63 4.33 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 125.468 1.73 . . . . 0.0 113.179 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -82.97 107.61 14.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 O-C-N 120.839 -1.163 . . . . 0.0 107.915 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -115.17 166.31 11.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 124.291 1.996 . . . . 0.0 110.578 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.253 36.8 pttt -33.34 139.2 0.06 Allowed 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 112.212 -2.267 . . . . 0.0 114.257 -173.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 71.25 11.47 6.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -65.66 150.54 48.3 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.382 168.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.2 m -114.89 113.91 24.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mp -95.43 158.29 15.52 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -105.88 131.11 53.6 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.784 -1.823 . . . . 0.0 106.765 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -104.99 109.56 21.6 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 102.937 -2.986 . . . . 0.0 102.937 173.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -100.78 144.58 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.74 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.722 ' H ' HD11 ' A' ' 8' ' ' LEU . 37.1 mt -108.47 137.99 45.51 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 117.689 2.478 . . . . 0.0 117.689 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -67.13 124.29 22.66 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 126.808 3.194 . . . . 0.0 118.22 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.3 mt -105.37 -19.72 13.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.832 2.853 . . . . 0.0 108.157 163.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -138.37 158.27 44.6 Favored 'General case' 0 CA--C 1.581 2.139 0 O-C-N 125.562 1.789 . . . . 0.0 109.268 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.67 150.14 6.16 Favored Glycine 0 C--N 1.349 1.295 0 C-N-CA 126.303 1.906 . . . . 0.0 114.58 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.813 0 CA-C-O 117.499 -1.723 . . . . 0.0 115.321 171.2 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ptt? . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 113.807 -2.997 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -90.81 149.57 21.92 Favored 'General case' 0 CA--C 1.552 1.023 0 O-C-N 127.022 2.701 . . . . 0.0 114.357 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 pt -139.06 159.87 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 163.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -122.09 124.82 44.82 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 118.958 -1.097 . . . . 0.0 112.489 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.4 124.0 65.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -114.39 124.43 51.93 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 119.143 -2.223 . . . . 0.0 107.313 -174.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -67.31 162.24 23.24 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 117.214 -1.374 . . . . 0.0 112.2 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.8 -42.62 89.54 Favored 'General case' 0 C--N 1.386 2.163 0 O-C-N 126.392 2.308 . . . . 0.0 112.066 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -72.57 -30.36 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.168 -1.583 . . . . 0.0 114.759 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.57 -12.03 4.3 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 119.812 2.685 . . . . 0.0 119.812 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -57.93 146.37 32.49 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.255 1.026 . . . . 0.0 108.425 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -120.51 116.26 25.06 Favored 'General case' 0 C--O 1.2 -1.541 0 O-C-N 119.332 -2.105 . . . . 0.0 107.945 -171.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.77 121.74 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 126.016 1.726 . . . . 0.0 108.422 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -93.66 130.48 39.58 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 119.975 -1.703 . . . . 0.0 107.122 176.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -119.46 123.4 43.96 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 173.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -74.38 127.36 32.82 Favored 'General case' 0 C--O 1.254 1.318 0 O-C-N 125.295 1.622 . . . . 0.0 111.075 157.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.53 165.91 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.416 0 CA-C-N 113.692 -1.595 . . . . 0.0 109.922 -171.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -106.57 161.36 23.12 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 112.907 -1.951 . . . . 0.0 112.058 171.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -72.1 -13.91 28.76 Favored 'Trans proline' 0 N--CA 1.507 2.319 0 CA-C-N 122.637 1.977 . . . . 0.0 113.329 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -95.91 8.78 42.68 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 125.981 2.051 . . . . 0.0 110.648 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -75.66 135.24 40.45 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 120.042 -1.661 . . . . 0.0 111.82 166.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 20.7 p -82.93 163.67 20.93 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-O 127.423 3.487 . . . . 0.0 113.649 -177.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.77 -45.2 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 115.006 -2.426 . . . . 0.0 108.317 169.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.82 -40.38 41.77 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 121.011 1.732 . . . . 0.0 114.142 168.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -65.22 -45.84 83.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.905 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.578 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -57.36 -40.22 77.61 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.59 86.31 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.58 -38.56 84.99 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 126.288 2.242 . . . . 0.0 114.481 165.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.16 -40.65 87.6 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 119.904 -1.747 . . . . 0.0 111.247 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -56.42 -42.88 78.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 126.45 2.344 . . . . 0.0 111.416 170.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -63.91 -47.63 79.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 116.766 -1.588 . . . . 0.0 113.859 169.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -69.64 -51.41 35.11 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 120.775 1.625 . . . . 0.0 114.635 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -122.48 -6.36 8.71 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.113 1.324 . . . . 0.0 112.881 -164.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.93 33.41 41.49 Favored Glycine 0 C--N 1.369 2.371 0 CA-C-O 117.021 -1.989 . . . . 0.0 114.878 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -100.1 123.11 48.16 Favored Pre-proline 0 C--N 1.402 2.884 0 CA-C-N 121.167 2.484 . . . . 0.0 106.959 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -52.99 140.32 59.43 Favored 'Trans proline' 0 CA--C 1.573 2.449 0 O-C-N 124.273 1.67 . . . . 0.0 116.353 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -51.15 -38.41 60.47 Favored 'Trans proline' 0 N--CA 1.507 2.295 0 N-CA-C 118.237 2.36 . . . . 0.0 118.237 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -84.39 0.86 47.79 Favored 'General case' 0 C--N 1.309 -1.18 0 O-C-N 126.266 2.229 . . . . 0.0 110.372 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -107.19 30.14 6.48 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 121.368 -0.832 . . . . 0.0 112.005 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -135.51 152.79 51.66 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-O 124.795 2.236 . . . . 0.0 110.071 -172.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -140.91 146.19 37.09 Favored 'General case' 0 N--CA 1.394 -3.229 0 N-CA-C 104.716 -2.327 . . . . 0.0 104.716 162.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt -123.36 119.12 29.15 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mt -104.27 155.91 5.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 124.825 1.328 . . . . 0.0 110.229 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -157.73 115.26 3.02 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -176.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 7.53 96.33 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 128.99 2.916 . . . . 0.0 117.878 -169.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.97 -9.5 52.84 Favored Glycine 0 C--N 1.363 2.03 0 CA-C-O 117.084 -1.953 . . . . 0.0 115.665 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -139.33 125.16 19.64 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-O 125.281 2.467 . . . . 0.0 114.0 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.73 135.81 50.23 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 119.599 -1.938 . . . . 0.0 108.691 165.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.4 131.65 47.38 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 125.385 2.517 . . . . 0.0 116.165 -170.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' CD ' HH21 ' A' ' 54' ' ' ARG . 50.9 mt-10 -66.13 143.2 57.44 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 129.001 2.921 . . . . 0.0 117.035 171.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.79 -38.46 80.01 Favored 'General case' 0 CA--C 1.49 -1.352 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.276 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.43 22.66 39.61 Favored Glycine 0 C--O 1.206 -1.624 0 O-C-N 123.422 0.451 . . . . 0.0 111.981 -161.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.453 HH21 ' CD ' ' A' ' 51' ' ' GLU . 30.9 mmt180 -105.82 150.01 25.97 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 174.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 73.0 p -82.95 165.87 19.34 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.272 -0.892 . . . . 0.0 113.314 161.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.55 -36.02 79.43 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.745 0.783 . . . . 0.0 111.415 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 t -63.78 -36.77 84.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 118.624 -2.547 . . . . 0.0 114.202 167.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -62.33 -33.96 75.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.335 1.425 . . . . 0.0 111.826 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -90.04 -4.27 57.49 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.368 2.4 m120 78.3 38.11 0.18 Allowed 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.968 173.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.8 mm -72.54 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 CA-C-O 124.21 1.957 . . . . 0.0 109.563 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -104.06 164.32 11.79 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.628 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -69.86 131.8 45.02 Favored 'General case' 0 CA--C 1.573 1.856 0 CA-C-O 126.429 3.014 . . . . 0.0 113.322 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.287 25.4 mt-10 83.5 23.05 0.14 Allowed 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 112.342 -2.208 . . . . 0.0 113.25 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 m -68.26 137.64 54.89 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -98.99 126.66 44.74 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.337 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 mp -133.75 153.83 51.42 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 125.455 1.722 . . . . 0.0 108.213 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -120.84 128.59 52.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 118.241 -1.384 . . . . 0.0 112.997 -161.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.3 124.21 36.2 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 117.887 -1.525 . . . . 0.0 108.734 -175.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t -110.04 105.09 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 167.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . 0.251 17.7 tp -59.36 134.12 56.72 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 113.638 -1.619 . . . . 0.0 113.255 169.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -92.94 141.43 28.42 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.58 173.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.49 151.23 19.48 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 123.281 1.515 . . . . 0.0 110.821 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -132.67 156.21 47.39 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -172.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.78 -164.42 35.37 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 118.929 -1.605 . . . . 0.0 110.748 164.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 C-N-CA 128.323 2.868 . . . . 0.0 109.853 -175.338 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.6 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.024 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -79.87 138.61 37.21 Favored 'General case' 0 C--N 1.38 1.911 0 CA-C-O 123.436 1.589 . . . . 0.0 114.101 -173.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.629 HG22 ' HB2' ' A' ' 65' ' ' SER . 43.5 pt -133.59 141.85 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 O-C-N 118.497 -2.627 . . . . 0.0 109.524 165.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -98.37 115.0 27.54 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 124.883 1.273 . . . . 0.0 108.797 -172.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -96.09 133.6 36.71 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -105.6 121.76 44.65 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -71.5 167.82 18.87 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 117.552 -3.218 . . . . 0.0 110.84 162.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.52 -36.58 84.24 Favored 'General case' 0 C--N 1.373 1.597 0 O-C-N 126.185 2.178 . . . . 0.0 107.391 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -100.7 11.88 38.62 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.55 9.89 28.12 Favored Glycine 0 C--N 1.285 -2.294 0 CA-C-O 117.3 -1.833 . . . . 0.0 114.239 159.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -76.85 136.81 38.91 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 121.917 2.859 . . . . 0.0 107.787 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -91.56 127.34 36.97 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 127.371 2.919 . . . . 0.0 107.18 172.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -120.32 127.27 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.43 0 N-CA-C 103.089 -2.93 . . . . 0.0 103.089 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -119.27 123.74 44.98 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 126.86 2.064 . . . . 0.0 109.475 -168.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 30' ' ' ILE . 16.0 mt -117.14 156.88 26.88 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 127.672 3.108 . . . . 0.0 111.665 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -109.16 115.98 31.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 128.132 2.573 . . . . 0.0 104.332 172.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -132.91 -171.98 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -143.31 157.23 60.25 Favored Pre-proline 0 CA--C 1.57 1.72 0 O-C-N 117.624 -3.172 . . . . 0.0 106.114 167.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -70.4 -7.89 22.31 Favored 'Trans proline' 0 N--CA 1.513 2.623 0 CA-C-N 120.477 1.206 . . . . 0.0 114.334 -168.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -92.01 0.86 57.47 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.668 1.587 . . . . 0.0 112.566 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -74.36 150.85 39.89 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.082 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 p -102.68 170.9 7.74 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.56 -33.39 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.719 0 CA-C-O 116.48 -1.724 . . . . 0.0 114.695 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -53.4 -40.24 64.92 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.686 169.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.98 -30.55 71.54 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 117.064 -1.446 . . . . 0.0 114.298 169.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -76.99 -33.71 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 121.369 1.895 . . . . 0.0 106.999 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -63.65 -40.59 97.23 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 118.651 -2.53 . . . . 0.0 111.343 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.88 78.52 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 124.989 1.316 . . . . 0.0 113.111 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.93 -36.95 85.1 Favored 'General case' 0 C--N 1.362 1.12 0 CA-C-N 118.987 0.812 . . . . 0.0 112.518 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.409 HG13 HD11 ' A' ' 15' ' ' LEU . 67.5 mt -69.95 -43.39 79.47 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.976 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -56.96 -42.81 80.82 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 120.528 1.513 . . . . 0.0 112.885 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.267 3.4 t0 -59.79 -46.32 89.58 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.88 -1.137 . . . . 0.0 113.48 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -69.51 -51.51 35.11 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 169.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -121.93 5.98 9.86 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -163.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.92 9.66 86.9 Favored Glycine 0 CA--C 1.551 2.327 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mm -84.53 121.38 74.92 Favored Pre-proline 0 N--CA 1.508 2.454 0 CA-C-N 119.042 1.421 . . . . 0.0 112.035 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 7.9 Cg_exo -62.79 123.79 12.93 Favored 'Trans proline' 0 N--CA 1.517 2.873 0 C-N-CA 123.399 2.733 . . . . 0.0 114.838 -174.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 80.6 Cg_exo -51.14 -38.41 60.4 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 123.261 2.641 . . . . 0.0 115.51 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -59.43 -40.43 86.73 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 122.592 1.187 . . . . 0.0 111.804 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -88.13 -24.45 23.37 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 126.16 1.784 . . . . 0.0 112.993 -168.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.68 140.77 46.1 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -137.57 116.18 12.1 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.3 mt -112.0 126.65 55.37 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.127 -173.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.58 134.86 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.903 0 C-N-CA 125.254 1.422 . . . . 0.0 109.536 -172.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -141.73 120.49 12.65 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.31 39.54 28.4 Favored 'General case' 0 N--CA 1.516 2.846 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -165.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.0 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 117.395 1.718 . . . . 0.0 117.395 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -144.84 159.69 42.48 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.275 2.537 . . . . 0.0 108.552 172.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -51.74 159.86 0.74 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 131.315 3.846 . . . . 0.0 117.866 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -126.66 131.03 51.52 Favored 'General case' 0 N--CA 1.514 2.756 0 O-C-N 126.258 2.224 . . . . 0.0 106.502 -168.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.11 129.97 35.07 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.197 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.94 -33.67 57.47 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 113.388 -1.733 . . . . 0.0 110.852 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.41 85.85 Favored Glycine 0 C--N 1.293 -1.86 0 N-CA-C 118.289 2.076 . . . . 0.0 118.289 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -98.1 139.19 34.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.212 -1.169 . . . . 0.0 111.57 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -73.79 158.67 34.15 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.508 168.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.15 -26.41 65.75 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.844 2.457 . . . . 0.0 111.255 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.7 p -78.75 -18.78 53.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.97 1.471 . . . . 0.0 114.97 175.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.84 -35.41 76.91 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -89.32 -14.18 36.29 Favored 'General case' 0 C--O 1.185 -2.299 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.314 -177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 67.97 40.33 2.32 Favored 'General case' 0 N--CA 1.509 2.495 0 C-N-CA 127.13 2.172 . . . . 0.0 112.992 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.507 HD11 HD21 ' A' ' 67' ' ' LEU 0.277 4.5 mt -59.58 138.36 20.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 CA-C-O 122.111 0.957 . . . . 0.0 111.344 161.542 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -136.25 -177.58 4.77 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 113.184 -1.825 . . . . 0.0 108.19 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -58.82 125.7 24.61 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.213 2.672 . . . . 0.0 118.213 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 78.23 18.21 1.12 Allowed 'General case' 0 C--N 1.362 1.116 0 O-C-N 118.978 -2.326 . . . . 0.0 112.187 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.629 ' HB2' HG22 ' A' ' 3' ' ' ILE 0.292 22.0 m -63.67 139.56 58.78 Favored 'General case' 0 CA--C 1.463 -2.375 0 CA-C-O 117.367 -1.301 . . . . 0.0 111.843 166.398 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -117.25 114.11 23.16 Favored 'General case' 0 C--N 1.384 2.088 0 O-C-N 126.964 2.665 . . . . 0.0 112.89 -171.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.507 HD21 HD11 ' A' ' 61' ' ' ILE . 64.5 mt -105.32 153.46 21.59 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-O 115.261 -2.304 . . . . 0.0 108.398 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -116.55 124.24 49.38 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 125.615 1.822 . . . . 0.0 107.607 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -90.42 147.33 23.5 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-O 123.741 1.734 . . . . 0.0 110.707 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 t -144.37 137.52 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.54 126.22 33.12 Favored 'General case' 0 C--O 1.193 -1.906 0 CA-C-O 124.949 2.309 . . . . 0.0 107.613 166.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -32.9 132.14 0.15 Allowed 'General case' 0 N--CA 1.499 1.977 1 N-CA-C 122.821 4.378 . . . . 0.0 122.821 174.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.9 tp -112.44 129.23 56.4 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.878 -1.964 . . . . 0.0 107.462 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -88.84 145.24 25.7 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.58 156.46 7.31 Favored Glycine 0 C--N 1.365 2.14 0 C-N-CA 129.807 3.575 . . . . 0.0 119.653 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 2.136 0 CA-C-N 114.443 -0.879 . . . . 0.0 111.145 178.217 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.516 2.869 0 CA-C-O 120.348 0.118 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -79.94 143.85 33.84 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.07 134.55 66.25 Favored 'Isoleucine or valine' 0 C--N 1.373 1.607 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 162.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -100.52 118.36 36.55 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.32 133.18 66.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 122.747 1.261 . . . . 0.0 110.425 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -99.67 121.48 41.3 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.219 -173.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.5 p -81.6 165.0 21.48 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 124.075 1.893 . . . . 0.0 111.497 173.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -57.15 -42.88 81.84 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 112.558 -2.11 . . . . 0.0 115.89 168.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -8.26 2.2 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 169.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.7 22.33 26.42 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 117.454 1.742 . . . . 0.0 117.454 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -105.33 140.08 39.0 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 118.759 -2.613 . . . . 0.0 112.125 -170.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -79.58 110.96 15.39 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.039 -1.064 . . . . 0.0 110.461 167.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.5 mm -102.22 132.84 47.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 m -77.31 123.54 26.62 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD11 ' HB ' ' A' ' 30' ' ' ILE . 44.0 mt -113.58 129.28 56.59 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 118.571 -1.251 . . . . 0.0 113.151 171.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -102.65 112.66 25.53 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.45 147.26 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.116 -163.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -86.4 153.96 56.5 Favored Pre-proline 0 N--CA 1.475 0.802 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.32 -19.84 61.89 Favored 'Trans proline' 0 N--CA 1.515 2.782 0 N-CA-C 108.93 -1.219 . . . . 0.0 108.93 -175.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -91.27 17.11 8.74 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 119.474 -2.016 . . . . 0.0 113.799 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.34 139.71 30.23 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-O 124.2 1.952 . . . . 0.0 111.559 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -70.02 154.26 42.17 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 124.411 2.053 . . . . 0.0 115.724 172.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -63.8 -31.19 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 O-C-N 118.457 -2.652 . . . . 0.0 113.509 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.09 -53.21 28.77 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-O 124.387 2.041 . . . . 0.0 113.061 163.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . 0.293 39.6 t-20 -58.51 -44.93 89.64 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 114.226 -1.352 . . . . 0.0 113.254 172.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -59.98 -42.78 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.643 0 O-C-N 119.996 -1.69 . . . . 0.0 111.377 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -60.09 -35.45 75.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 126.669 2.481 . . . . 0.0 117.412 163.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.36 64.56 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-O 117.388 -1.292 . . . . 0.0 108.858 174.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -68.92 -30.71 69.23 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 124.056 0.847 . . . . 0.0 111.977 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.524 ' HB ' HD11 ' A' ' 15' ' ' LEU . 18.9 tt -91.69 -15.95 8.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 118.406 -2.684 . . . . 0.0 107.404 -175.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.25 18.4 tt0 -64.31 -45.04 89.67 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 124.667 1.187 . . . . 0.0 112.485 162.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -57.38 -51.99 67.17 Favored 'General case' 0 C--N 1.364 1.219 0 O-C-N 125.185 1.553 . . . . 0.0 110.99 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -60.37 -55.56 32.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.57 -1.956 . . . . 0.0 115.83 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -124.41 -18.85 5.64 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.815 0.816 . . . . 0.0 112.696 -160.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.5 30.77 20.85 Favored Glycine 0 C--N 1.364 2.086 0 O-C-N 120.35 -1.469 . . . . 0.0 114.824 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.9 pp -71.96 150.55 92.74 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 115.225 -2.321 . . . . 0.0 109.211 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.428 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 86.0 Cg_endo -88.42 108.41 0.54 Allowed 'Trans proline' 0 C--N 1.282 -2.963 0 CA-C-O 112.704 -3.124 . . . . 0.0 116.903 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 6.6 Cg_exo -43.68 -53.76 4.2 Favored 'Trans proline' 0 N--CA 1.523 3.221 1 C-N-CA 125.407 4.072 . . . . 0.0 118.174 -178.689 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.62 -31.68 69.72 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 125.167 1.542 . . . . 0.0 113.968 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -78.45 -15.38 58.7 Favored 'General case' 0 C--N 1.367 1.352 0 O-C-N 119.551 -1.968 . . . . 0.0 114.727 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -123.92 120.59 32.98 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -166.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -100.11 120.52 39.98 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.774 2.03 . . . . 0.0 108.8 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.7 tp -78.54 128.93 34.23 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.934 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.92 141.2 20.07 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 119.959 -1.713 . . . . 0.0 108.696 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.68 139.29 49.02 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.541 2.4 . . . . 0.0 109.944 159.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.316 . . 40.18 55.61 2.68 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 125.29 1.436 . . . . 0.0 114.135 -176.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.93 -1.02 18.57 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 118.336 2.094 . . . . 0.0 118.336 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -121.59 127.47 50.94 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 118.796 1.298 . . . . 0.0 109.053 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.56 132.97 55.59 Favored 'General case' 0 N--CA 1.513 2.707 0 C-N-CA 125.671 1.589 . . . . 0.0 112.19 170.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.34 122.08 44.71 Favored 'General case' 0 N--CA 1.514 2.733 0 CA-C-O 116.8 -1.572 . . . . 0.0 109.806 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.4 140.97 57.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 125.633 1.833 . . . . 0.0 114.038 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.91 -39.66 90.2 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 123.566 1.65 . . . . 0.0 113.107 -171.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.78 -24.56 62.54 Favored Glycine 0 C--N 1.37 2.463 0 N-CA-C 119.723 2.649 . . . . 0.0 119.723 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -95.42 149.8 20.99 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.422 1.489 . . . . 0.0 113.089 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 p -77.55 167.61 21.33 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 117.745 -1.582 . . . . 0.0 113.323 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.77 -45.09 94.31 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.703 1.601 . . . . 0.0 111.27 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -66.29 -41.57 89.6 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 128.008 3.318 . . . . 0.0 110.828 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.86 -44.68 86.72 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 119.714 1.143 . . . . 0.0 112.452 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -81.34 -7.27 59.55 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.653 1.581 . . . . 0.0 114.445 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 68.52 36.94 2.74 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.869 1.667 . . . . 0.0 112.686 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.6 mm -85.15 131.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.371 1.511 0 C-N-CA 124.323 1.049 . . . . 0.0 110.175 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -111.49 159.01 18.49 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 125.633 1.833 . . . . 0.0 110.2 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.01 146.77 31.56 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-N 111.455 -2.611 . . . . 0.0 113.235 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.304 39.2 mt-10 77.35 0.33 2.94 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.6 m -82.63 148.56 27.91 Favored 'General case' 0 CA--C 1.564 1.493 0 CA-C-O 123.512 1.625 . . . . 0.0 110.104 173.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.0 m -109.08 128.96 55.43 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -165.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mp -127.15 158.73 36.27 Favored 'General case' 0 C--O 1.196 -1.743 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -132.53 115.24 15.23 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.4 -2.063 . . . . 0.0 110.76 -166.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.23 140.27 57.11 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.933 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t -129.06 138.87 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 CA-C-N 119.462 1.028 . . . . 0.0 109.297 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.27 139.36 58.76 Favored 'General case' 0 CA--C 1.592 2.562 0 O-C-N 118.314 -2.741 . . . . 0.0 111.065 172.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -44.69 154.39 0.13 Allowed 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 111.545 -2.57 . . . . 0.0 114.485 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.69 141.03 56.79 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.584 168.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -126.47 132.74 51.36 Favored 'General case' 0 N--CA 1.502 2.128 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.734 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.77 -144.77 0.43 Allowed Glycine 0 C--N 1.372 2.567 0 CA-C-O 124.669 2.261 . . . . 0.0 117.169 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.05 0 CA-C-N 112.72 -1.74 . . . . 0.0 111.315 -178.345 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.543 0.687 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.59 140.5 29.48 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-O 121.867 0.841 . . . . 0.0 110.288 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.1 168.92 21.48 Favored 'Isoleucine or valine' 0 C--N 1.374 1.633 0 O-C-N 120.124 -1.61 . . . . 0.0 109.18 159.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -113.41 143.88 43.73 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.65 111.84 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 173.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -105.06 112.41 25.53 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.212 -0.93 . . . . 0.0 109.618 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -66.6 147.69 52.93 Favored 'General case' 0 C--N 1.37 1.465 0 CA-C-O 122.581 1.182 . . . . 0.0 112.328 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 8' ' ' LEU . 13.1 tp -62.76 -11.6 18.67 Favored 'General case' 0 N--CA 1.504 2.266 0 CA-C-O 121.964 0.887 . . . . 0.0 111.952 174.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.6 p -86.83 -8.96 56.83 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.066 -1.647 . . . . 0.0 114.452 169.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.96 32.52 6.14 Favored Glycine 0 C--O 1.256 1.526 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 172.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -117.45 123.2 45.8 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-O 122.378 1.085 . . . . 0.0 111.217 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.9 m -97.75 107.08 19.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -172.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mm -92.51 128.03 44.33 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 125.973 2.046 . . . . 0.0 110.365 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.4 p -76.06 120.17 21.0 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 126.47 2.356 . . . . 0.0 112.822 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 tp -129.57 151.03 50.63 Favored 'General case' 0 C--N 1.401 2.817 0 O-C-N 119.684 -1.885 . . . . 0.0 111.468 174.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -114.51 123.53 49.62 Favored 'General case' 0 C--N 1.375 1.706 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.06 165.29 28.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 125.512 1.525 . . . . 0.0 109.575 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -105.29 163.49 17.03 Favored Pre-proline 0 CA--C 1.557 1.248 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.26 -23.87 15.06 Favored 'Trans proline' 0 N--CA 1.506 2.228 0 C-N-CA 121.419 1.413 . . . . 0.0 113.279 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 p -81.01 -0.51 39.97 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 171.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -66.91 146.7 54.11 Favored 'General case' 0 C--N 1.378 1.839 0 CA-C-N 119.787 1.176 . . . . 0.0 111.261 171.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 45.6 p -96.25 162.86 13.33 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 126.934 2.646 . . . . 0.0 108.903 172.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG13 ' HB3' ' A' ' 50' ' ' LEU . 19.4 mm -60.92 -38.14 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 113.808 -1.542 . . . . 0.0 114.547 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -58.62 -36.69 74.46 Favored 'General case' 0 C--O 1.272 2.279 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 160.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.44 -43.19 97.09 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 120.806 1.639 . . . . 0.0 112.546 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.04 -39.25 81.62 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 123.565 1.65 . . . . 0.0 113.793 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.96 -39.22 88.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 118.588 -2.57 . . . . 0.0 112.349 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.91 41.79 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -76.21 -36.22 58.7 Favored 'General case' 0 N--CA 1.415 -2.222 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.42 -43.4 90.35 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 165.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -59.77 -32.82 70.95 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 118.559 2.799 . . . . 0.0 118.559 171.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.91 -47.93 75.99 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.406 161.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 20.6 tptp -62.86 -46.91 85.69 Favored 'General case' 0 C--O 1.25 1.122 0 C-N-CA 118.257 -1.377 . . . . 0.0 114.431 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.415 ' HG2' ' HG3' ' A' ' 33' ' ' LYS . 63.8 mm-40 -135.16 -11.0 2.23 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 125.615 1.822 . . . . 0.0 111.9 -158.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 24.38 61.56 Favored Glycine 0 CA--C 1.544 1.88 0 N-CA-C 116.945 1.538 . . . . 0.0 116.945 174.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.7 mt -92.14 124.65 59.22 Favored Pre-proline 0 C--O 1.218 -0.597 0 CA-C-O 112.111 -3.804 . . . . 0.0 108.038 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -46.42 128.73 12.77 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 O-C-N 125.3 2.211 . . . . 0.0 111.931 -168.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.92 -28.02 11.64 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 CA-C-N 121.403 1.537 . . . . 0.0 113.718 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -11.15 60.62 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.441 1.713 . . . . 0.0 112.4 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -117.87 13.75 14.11 Favored 'General case' 0 CA--C 1.56 1.34 0 O-C-N 121.089 -1.007 . . . . 0.0 111.976 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -97.15 139.71 32.74 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -118.95 110.09 16.73 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 127.26 41.36 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 125.668 1.855 . . . . 0.0 111.134 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -115.53 143.7 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -116.06 113.41 23.13 Favored 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 122.171 0.986 . . . . 0.0 112.165 161.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.91 45.49 6.41 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.66 6.7 52.34 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 117.753 1.861 . . . . 0.0 117.753 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -135.05 114.24 12.23 Favored 'General case' 0 CA--C 1.585 2.306 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.71 125.78 25.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.289 1.436 . . . . 0.0 107.613 171.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.404 ' HB3' HG13 ' A' ' 23' ' ' ILE . 38.9 mt -99.78 114.61 27.87 Favored 'General case' 0 N--CA 1.406 -2.661 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 -167.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.94 141.31 54.01 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.203 1.401 . . . . 0.0 111.107 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.86 -32.97 69.93 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 117.167 -1.397 . . . . 0.0 113.987 -160.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.42 62.85 Favored Glycine 0 N--CA 1.505 3.284 0 O-C-N 128.164 3.415 . . . . 0.0 111.883 -171.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' THR . 41.8 mmt180 -77.85 158.46 29.45 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.461 -1.023 . . . . 0.0 110.081 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.2 p -107.42 163.01 13.41 Favored 'General case' 0 C--O 1.194 -1.851 0 CA-C-N 118.947 0.794 . . . . 0.0 109.663 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.2 mt -57.99 -36.83 73.19 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.4 m -54.97 -39.22 68.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 170.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.85 -36.84 81.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.48 1.512 . . . . 0.0 111.581 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -99.33 8.6 44.54 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -178.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m120 67.81 44.64 1.55 Allowed 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 121.522 -0.736 . . . . 0.0 109.29 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.0 mt -98.32 101.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.459 1.6 . . . . 0.0 108.015 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -89.38 162.26 15.88 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.262 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -53.51 140.86 26.93 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.603 -1.311 . . . . 0.0 112.969 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.282 47.4 mt-10 62.28 17.88 9.71 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.081 1.752 . . . . 0.0 115.044 -168.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -71.82 143.19 49.56 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-O 122.709 1.242 . . . . 0.0 108.689 166.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.03 121.47 38.95 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.658 -1.61 . . . . 0.0 106.726 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.86 153.15 19.0 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-O 122.615 1.198 . . . . 0.0 107.837 168.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -102.22 136.59 41.77 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 124.309 2.004 . . . . 0.0 107.755 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 tp -108.74 128.41 54.85 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -126.56 129.96 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.58 136.11 38.44 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.715 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -94.71 13.13 25.41 Favored 'General case' 0 C--N 1.371 1.532 0 CA-C-O 122.432 1.111 . . . . 0.0 110.918 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.2 mt -56.21 134.28 53.0 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -141.31 164.51 30.04 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 127.042 2.137 . . . . 0.0 105.565 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.06 -157.38 4.02 Favored Glycine 0 C--O 1.207 -1.533 0 N-CA-C 118.869 2.307 . . . . 0.0 118.869 -166.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.735 0 CA-C-N 110.955 -2.623 . . . . 0.0 114.579 -169.216 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.525 3.31 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.15 134.21 50.15 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 119.566 -1.959 . . . . 0.0 114.363 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.69 161.83 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 163.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -108.83 146.5 33.56 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 124.051 1.882 . . . . 0.0 109.656 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.15 125.72 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 CA-C-N 112.523 -2.126 . . . . 0.0 108.619 164.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.18 129.02 34.89 Favored 'General case' 0 C--N 1.363 1.192 0 O-C-N 127.536 3.023 . . . . 0.0 110.664 160.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -96.47 168.29 10.64 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 114.081 -1.418 . . . . 0.0 114.035 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.13 -8.37 56.36 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 p -98.88 2.91 47.06 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 124.06 0.944 . . . . 0.0 109.631 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.05 28.96 57.67 Favored Glycine 0 N--CA 1.424 -2.104 0 CA-C-O 118.728 -1.04 . . . . 0.0 113.041 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.25 70.9 tttt -92.72 149.64 21.18 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 118.517 1.159 . . . . 0.0 110.267 167.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -112.17 129.02 56.39 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 pt -123.69 142.12 41.51 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.308 0 CA-C-N 112.8 -2.0 . . . . 0.0 111.505 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -105.65 131.15 53.38 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 126.271 2.232 . . . . 0.0 108.345 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -129.67 161.01 31.58 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -169.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -126.31 118.95 26.14 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 124.925 2.298 . . . . 0.0 107.098 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.468 HG11 HG22 ' A' ' 26' ' ' VAL . 12.2 m -151.54 158.3 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 125.356 1.462 . . . . 0.0 107.348 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -111.01 164.13 15.64 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 119.588 -1.945 . . . . 0.0 111.069 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -45.38 -41.13 17.65 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 N-CA-C 117.749 2.173 . . . . 0.0 117.749 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -90.95 1.11 57.3 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 118.912 -2.368 . . . . 0.0 113.041 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -66.61 135.92 54.84 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.82 1.191 . . . . 0.0 113.419 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -67.05 151.81 46.94 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 121.001 -1.062 . . . . 0.0 111.427 171.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.58 -30.09 48.4 Favored 'Isoleucine or valine' 0 C--N 1.39 2.342 0 O-C-N 124.742 1.276 . . . . 0.0 110.51 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.85 -43.5 73.11 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.039 1.336 . . . . 0.0 113.736 170.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -73.76 -27.3 61.09 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 119.466 1.03 . . . . 0.0 112.078 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.468 HG22 HG11 ' A' ' 17' ' ' VAL . 6.5 t -67.81 -45.34 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 169.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -57.28 -40.7 78.31 Favored 'General case' 0 N--CA 1.513 2.725 0 CA-C-O 126.484 3.04 . . . . 0.0 112.703 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.04 73.49 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 111.767 -2.47 . . . . 0.0 114.414 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.46 -26.24 51.25 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.4 -35.89 34.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.281 0 O-C-N 119.511 -1.993 . . . . 0.0 108.641 169.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.342 1.9 tp-100 -53.24 -53.02 56.88 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 125.195 1.559 . . . . 0.0 113.92 168.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -49.61 -51.4 37.7 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 128.123 2.569 . . . . 0.0 113.26 169.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -67.25 -62.61 1.34 Allowed 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -106.75 -7.93 17.03 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 116.544 -1.694 . . . . 0.0 111.778 -161.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.33 11.75 64.09 Favored Glycine 1 CA--C 1.583 4.293 0 CA-C-N 122.307 2.321 . . . . 0.0 115.712 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mm -92.14 112.71 56.37 Favored Pre-proline 0 C--N 1.378 1.814 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.886 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.37 133.12 19.97 Favored 'Trans proline' 0 N--CA 1.512 2.599 0 C-N-CA 122.714 2.276 . . . . 0.0 113.346 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.39 -26.75 76.95 Favored 'Trans proline' 0 CA--C 1.48 -2.175 0 N-CA-C 117.425 2.048 . . . . 0.0 117.425 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.38 -15.58 61.85 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 125.006 1.441 . . . . 0.0 113.557 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -96.67 7.46 46.51 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 126.527 2.392 . . . . 0.0 108.963 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -112.83 153.91 27.11 Favored 'General case' 0 CA--C 1.572 1.803 0 C-N-CA 122.582 0.353 . . . . 0.0 110.991 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -147.2 121.18 9.38 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 170.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -95.12 148.92 21.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.68 -2.512 . . . . 0.0 114.9 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.4 mt -133.68 144.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 O-C-N 120.193 -1.567 . . . . 0.0 108.5 -174.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -148.0 145.14 28.4 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 114.637 -2.602 . . . . 0.0 105.734 165.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.64 30.74 16.96 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 128.472 3.608 . . . . 0.0 112.714 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.67 80.82 Favored Glycine 0 C--N 1.302 -1.339 0 N-CA-C 117.615 1.806 . . . . 0.0 117.615 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -137.87 145.66 42.45 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 118.111 0.956 . . . . 0.0 108.636 -166.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.59 142.25 27.99 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 127.379 2.925 . . . . 0.0 109.752 -170.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.07 124.86 53.57 Favored 'General case' 0 C--O 1.205 -1.273 0 O-C-N 124.847 1.342 . . . . 0.0 108.796 -171.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.29 139.98 57.31 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.08 -41.43 96.63 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 112.141 -2.3 . . . . 0.0 113.726 -167.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.39 10.13 55.89 Favored Glycine 0 CA--C 1.546 1.978 0 CA-C-O 115.01 -3.105 . . . . 0.0 111.822 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.435 HH21 ' CG ' ' A' ' 58' ' ' ASP . 19.8 mmm180 -113.04 169.23 9.08 Favored 'General case' 0 C--N 1.375 1.706 0 CA-C-N 123.055 3.427 . . . . 0.0 105.074 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -118.24 168.61 10.44 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-O 123.926 1.822 . . . . 0.0 110.428 -161.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.16 -36.01 78.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 118.74 -2.475 . . . . 0.0 114.577 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.252 43.3 t -55.27 -46.83 76.15 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 126.077 2.11 . . . . 0.0 115.048 161.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' CG ' HH21 ' A' ' 54' ' ' ARG . 73.1 m-20 -58.68 -43.2 89.86 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-O 125.618 2.628 . . . . 0.0 112.217 177.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -92.2 1.99 56.88 Favored 'General case' 0 N--CA 1.41 -2.447 0 CA-C-N 111.96 -2.382 . . . . 0.0 113.442 -173.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 t30 45.48 48.36 10.91 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 127.562 2.345 . . . . 0.0 116.982 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -76.73 144.87 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.788 0 CA-C-N 112.706 -2.043 . . . . 0.0 110.159 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -108.34 171.82 7.19 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.471 1.109 . . . . 0.0 111.031 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -60.87 139.57 57.94 Favored 'General case' 0 C--N 1.368 1.4 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 56.68 30.18 17.06 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.8 2.44 . . . . 0.0 115.48 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -66.87 157.9 31.95 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 121.233 -0.917 . . . . 0.0 111.795 170.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -113.14 109.09 18.21 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.871 1.32 . . . . 0.0 110.83 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -85.66 149.03 25.6 Favored 'General case' 0 CA--C 1.555 1.155 1 CA-C-N 108.125 -4.125 . . . . 0.0 110.618 169.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -118.55 131.54 56.21 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 101.452 -3.536 . . . . 0.0 101.452 -175.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 128.13 51.23 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-O 122.296 1.046 . . . . 0.0 111.323 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t -115.78 143.25 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 C-N-CA 126.521 1.928 . . . . 0.0 108.029 172.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.6 mt -96.29 157.51 15.87 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 121.489 -0.757 . . . . 0.0 110.523 -170.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -131.43 162.06 31.06 Favored 'General case' 0 C--O 1.26 1.635 0 CA-C-O 126.162 2.887 . . . . 0.0 106.882 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt -110.1 139.55 45.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 109.478 -3.51 . . . . 0.0 111.103 -172.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -63.33 141.42 58.77 Favored 'General case' 0 CA--C 1.564 1.517 0 O-C-N 119.531 -1.98 . . . . 0.0 114.506 169.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.66 141.49 7.75 Favored Glycine 0 C--N 1.364 2.137 0 O-C-N 125.402 1.688 . . . . 0.0 113.731 -172.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.488 -1.649 0 CA-C-O 115.989 -2.562 . . . . 0.0 108.366 172.074 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.54 153.71 24.73 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 124.271 1.986 . . . . 0.0 114.71 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 pt -140.01 161.16 26.17 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 O-C-N 119.748 -1.845 . . . . 0.0 109.094 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -111.54 122.52 48.05 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 112.798 -2.001 . . . . 0.0 106.524 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.73 113.75 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -85.07 123.73 30.93 Favored 'General case' 0 C--N 1.378 1.842 0 C-N-CA 123.471 0.708 . . . . 0.0 109.803 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 152.85 23.11 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 126.643 2.464 . . . . 0.0 110.075 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.77 -19.47 64.32 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.083 -2.261 . . . . 0.0 110.53 164.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -90.38 9.11 30.27 Favored 'General case' 0 C--N 1.39 2.335 0 O-C-N 127.46 2.975 . . . . 0.0 113.582 -172.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.88 37.3 16.51 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 120.453 -0.879 . . . . 0.0 114.773 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.8 168.69 19.26 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -137.36 114.18 10.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 103.12 -2.919 . . . . 0.0 103.12 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -83.38 112.58 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 111.969 -2.378 . . . . 0.0 112.469 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.7 m -81.88 118.25 22.78 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.236 -1.802 . . . . 0.0 110.15 170.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 pp -127.07 141.09 51.86 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 118.156 -1.418 . . . . 0.0 112.071 169.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -86.07 135.12 33.75 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.42 171.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.93 146.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.405 1.482 . . . . 0.0 112.162 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.62 156.41 65.12 Favored Pre-proline 0 C--N 1.372 1.585 0 C-N-CA 127.204 2.201 . . . . 0.0 109.572 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -72.23 -12.79 28.01 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 CA-C-N 124.27 2.561 . . . . 0.0 109.786 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 p -94.16 -0.84 54.99 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.47 149.85 49.35 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.16 -1.587 . . . . 0.0 108.896 172.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 67.0 p -97.97 155.55 17.04 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.795 1.934 . . . . 0.0 108.778 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -59.85 -34.82 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 O-C-N 118.171 -2.831 . . . . 0.0 110.464 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -42.29 -48.25 4.94 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 162.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -70.24 -32.93 71.0 Favored 'General case' 0 CA--C 1.598 2.805 0 C-N-CA 124.994 1.318 . . . . 0.0 111.313 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.57 -44.68 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.627 0 O-C-N 119.824 -1.798 . . . . 0.0 108.862 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.43 -38.53 87.61 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 127.512 3.008 . . . . 0.0 114.914 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.1 -30.59 67.83 Favored 'General case' 0 CA--C 1.581 2.148 0 O-C-N 126.107 2.13 . . . . 0.0 113.723 164.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.308 63.9 mttm -59.73 -42.94 94.27 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 115.346 -2.264 . . . . 0.0 113.784 163.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.8 mm -63.5 -33.31 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.759 0 O-C-N 125.557 1.785 . . . . 0.0 113.012 172.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.14 -41.83 84.56 Favored 'General case' 0 N--CA 1.428 -1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 111.147 173.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.57 -53.2 37.1 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.607 -1.308 . . . . 0.0 111.374 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -76.49 -24.15 53.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 116.204 -1.855 . . . . 0.0 113.515 -163.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -140.13 -8.06 1.18 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.784 1.302 . . . . 0.0 111.218 -175.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.07 31.06 44.23 Favored Glycine 0 C--N 1.364 2.131 0 CA-C-N 119.942 1.247 . . . . 0.0 114.606 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -99.64 122.15 52.26 Favored Pre-proline 0 C--O 1.255 1.366 0 C-N-CA 125.647 1.579 . . . . 0.0 111.452 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -65.75 149.26 87.06 Favored 'Trans proline' 0 C--N 1.301 -1.969 0 CA-C-O 113.788 -2.672 . . . . 0.0 111.119 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -59.2 -24.9 76.09 Favored 'Trans proline' 0 N--CA 1.513 2.671 0 C-N-CA 123.338 2.692 . . . . 0.0 117.547 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.79 -14.18 58.89 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.597 1.544 . . . . 0.0 108.938 -174.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -84.48 -10.72 57.22 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.698 -0.626 . . . . 0.0 111.51 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -106.07 141.09 38.03 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 117.278 -1.769 . . . . 0.0 110.465 -164.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -131.7 131.96 43.51 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.705 -3.813 . . . . 0.0 100.705 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -110.72 136.61 49.53 Favored 'General case' 0 N--CA 1.395 -3.185 0 CA-C-O 122.171 0.986 . . . . 0.0 112.336 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -122.84 133.11 69.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.131 0 CA-C-O 116.291 -1.814 . . . . 0.0 108.261 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -143.66 135.98 26.92 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 101.81 -3.404 . . . . 0.0 101.81 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.9 30.31 18.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.505 1.922 . . . . 0.0 115.048 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.29 16.81 60.83 Favored Glycine 0 C--O 1.252 1.242 0 CA-C-O 116.457 -2.301 . . . . 0.0 117.912 -169.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -122.02 151.41 40.86 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 124.408 2.051 . . . . 0.0 111.002 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.4 131.27 42.38 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 111.051 -2.795 . . . . 0.0 109.833 -174.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -97.32 128.08 43.85 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.931 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -84.65 146.03 27.68 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.74 -46.24 90.48 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 118.928 2.936 . . . . 0.0 118.928 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.83 -17.5 79.31 Favored Glycine 0 N--CA 1.489 2.167 0 CA-C-N 120.555 1.525 . . . . 0.0 114.177 -174.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -67.9 138.69 56.21 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 127.073 2.278 . . . . 0.0 112.878 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 68.5 p -82.42 166.68 19.18 Favored 'General case' 0 CA--C 1.558 1.265 0 O-C-N 119.9 -1.75 . . . . 0.0 113.651 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.42 -41.06 88.67 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 112.593 -2.094 . . . . 0.0 109.931 169.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -54.09 -45.33 71.77 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -53.33 -37.92 62.75 Favored 'General case' 0 C--O 1.251 1.18 0 C-N-CA 126.735 2.014 . . . . 0.0 113.077 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -97.87 0.03 45.91 Favored 'General case' 0 CA--C 1.485 -1.519 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.275 25.5 m120 62.2 44.45 7.71 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.854 1.662 . . . . 0.0 113.688 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 mt -83.57 118.33 30.87 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-O 122.289 1.042 . . . . 0.0 111.184 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.79 167.44 11.26 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.211 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 142.79 12.49 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.264 37.9 mt-10 71.56 16.55 5.84 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.744 174.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.1 m -75.74 157.89 32.95 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 118.648 -1.221 . . . . 0.0 114.242 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.2 m -110.38 116.63 31.78 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.023 -2.298 . . . . 0.0 105.032 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.3 163.24 13.16 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 122.898 1.333 . . . . 0.0 112.584 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -117.8 139.88 50.46 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 118.822 -2.424 . . . . 0.0 110.253 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -114.73 128.33 56.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.575 2.35 . . . . 0.0 109.225 -175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.7 t -117.24 121.44 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.8 tp -85.52 123.79 31.35 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 126.627 2.455 . . . . 0.0 108.002 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -98.68 121.95 41.27 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-O 117.057 -1.449 . . . . 0.0 110.495 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 mt -74.0 147.73 42.69 Favored 'General case' 0 C--N 1.371 1.523 0 O-C-N 124.079 0.862 . . . . 0.0 110.212 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -56.05 139.05 48.11 Favored 'General case' 0 C--N 1.369 1.457 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 166.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.38 0.24 43.67 Favored Glycine 0 CA--C 1.547 2.057 0 O-C-N 119.129 -2.232 . . . . 0.0 109.366 -172.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.481 0 CA-C-O 115.89 -2.617 . . . . 0.0 112.236 160.513 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.528 3.446 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.55 149.6 24.25 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 126.367 2.292 . . . . 0.0 115.863 169.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 pt -138.7 168.11 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 112.415 -2.175 . . . . 0.0 107.556 164.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.14 138.88 53.34 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.78 -1.2 . . . . 0.0 110.714 -174.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.78 127.84 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 168.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -86.12 124.21 32.28 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 165.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -101.42 140.61 35.47 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.7 mt -86.36 13.1 8.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 109.08 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.2 p -91.31 -6.81 52.55 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.911 -1.118 . . . . 0.0 111.325 166.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.41 35.16 2.52 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 124.944 1.403 . . . . 0.0 112.044 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -136.4 157.78 45.98 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.99 1.895 . . . . 0.0 113.63 170.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 m -105.89 132.24 52.24 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.224 1.012 . . . . 0.0 109.136 173.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -108.86 143.14 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 m -113.88 126.09 54.79 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.47 0.481 . . . . 0.0 110.614 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 29' ' ' LYS . 97.2 mt -112.78 126.95 55.98 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -91.65 122.22 34.02 Favored 'General case' 0 C--N 1.378 1.807 0 CA-C-O 124.27 1.986 . . . . 0.0 110.038 165.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.63 163.21 31.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.327 0 CA-C-N 111.124 -2.762 . . . . 0.0 111.525 -174.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -112.73 143.42 28.98 Favored Pre-proline 0 N--CA 1.483 1.214 1 N-CA-C 99.797 -4.149 . . . . 0.0 99.797 174.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.23 -6.46 13.25 Favored 'Trans proline' 0 N--CA 1.508 2.332 0 CA-C-N 124.146 2.517 . . . . 0.0 117.337 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -87.4 -3.97 59.02 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 117.995 -1.482 . . . . 0.0 112.228 166.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -71.72 145.26 48.91 Favored 'General case' 0 C--N 1.362 1.132 0 CA-C-N 122.369 2.35 . . . . 0.0 114.248 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 163.48 25.05 Favored 'General case' 0 C--O 1.26 1.645 0 O-C-N 119.152 -2.217 . . . . 0.0 114.058 172.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.09 -34.2 68.65 Favored 'Isoleucine or valine' 0 C--N 1.373 1.6 0 CA-C-N 110.319 -3.128 . . . . 0.0 111.737 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -58.08 -40.49 81.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.361 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.12 -42.24 89.44 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 116.97 -1.49 . . . . 0.0 112.799 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.43 -43.87 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 126.46 2.35 . . . . 0.0 110.382 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -61.16 -31.31 71.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 119.997 -1.69 . . . . 0.0 113.872 171.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.59 -26.73 66.42 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 119.169 -1.013 . . . . 0.0 113.149 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HB3' HD22 ' A' ' 15' ' ' LEU . 77.4 mttt -87.09 -28.7 22.37 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.001 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.02 -45.33 98.96 Favored 'Isoleucine or valine' 0 C--N 1.406 3.03 0 O-C-N 125.919 2.012 . . . . 0.0 110.073 164.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -64.48 -45.16 88.55 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.354 1.034 . . . . 0.0 110.528 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.23 -44.45 95.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 117.052 -1.451 . . . . 0.0 110.986 176.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -70.8 -56.69 5.78 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 119.082 2.993 . . . . 0.0 119.082 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -106.55 -3.25 21.01 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 123.792 0.682 . . . . 0.0 112.665 -165.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 28.1 64.04 Favored Glycine 0 N--CA 1.499 2.893 0 O-C-N 119.716 -1.865 . . . . 0.0 113.465 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.3 mt -98.39 128.73 32.29 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -54.23 129.98 37.32 Favored 'Trans proline' 0 N--CA 1.533 3.84 0 N-CA-C 117.583 2.109 . . . . 0.0 117.583 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -63.71 -19.01 66.53 Favored 'Trans proline' 0 N--CA 1.513 2.645 0 CA-C-N 121.453 1.555 . . . . 0.0 114.36 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.59 -34.95 67.67 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -97.76 -5.48 34.88 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 123.086 2.676 . . . . 0.0 114.182 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -84.94 128.41 34.61 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -123.53 127.79 48.83 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 124.411 1.07 . . . . 0.0 110.749 155.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.97 143.81 26.6 Favored 'General case' 0 C--N 1.366 1.286 0 CA-C-O 116.821 -1.562 . . . . 0.0 107.775 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -126.81 124.02 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.825 0 O-C-N 127.149 2.78 . . . . 0.0 105.93 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -118.63 95.83 5.02 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 123.949 1.833 . . . . 0.0 107.671 -170.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.82 42.97 0.68 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 118.035 2.605 . . . . 0.0 118.035 -163.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 -21.79 35.46 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 117.304 -1.831 . . . . 0.0 111.394 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -87.7 120.47 29.06 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 118.847 1.324 . . . . 0.0 111.456 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -81.1 128.25 33.53 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.093 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -75.87 162.79 27.83 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 125.505 1.753 . . . . 0.0 111.115 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -112.49 143.52 43.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -58.56 -40.87 84.3 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 125.53 1.769 . . . . 0.0 115.464 -168.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.62 -4.49 76.2 Favored Glycine 0 CA--C 1.551 2.304 0 O-C-N 119.136 -2.227 . . . . 0.0 114.971 -165.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -83.33 158.62 22.11 Favored 'General case' 0 N--CA 1.511 2.606 0 CA-C-N 119.367 1.584 . . . . 0.0 109.954 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.7 p -90.93 153.47 20.16 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.579 1.657 . . . . 0.0 111.552 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.18 -35.95 60.4 Favored 'General case' 0 CA--C 1.577 2.006 0 O-C-N 119.877 -1.764 . . . . 0.0 110.304 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.8 t -59.37 -30.1 68.16 Favored 'General case' 0 CA--C 1.58 2.115 0 O-C-N 119.794 -1.816 . . . . 0.0 112.971 173.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.96 -21.0 60.18 Favored 'General case' 0 C--N 1.389 2.309 0 CA-C-N 119.888 1.222 . . . . 0.0 111.439 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -99.79 0.03 40.79 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 116.753 -1.594 . . . . 0.0 113.628 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.266 59.7 m-20 40.2 49.54 2.45 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 125.5 2.571 . . . . 0.0 116.399 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.82 122.13 31.98 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-N 113.694 -1.594 . . . . 0.0 108.171 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -112.65 169.35 8.96 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 110.668 -2.969 . . . . 0.0 113.807 -173.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 141.87 44.66 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 68.91 15.6 8.88 Favored 'General case' 0 N--CA 1.491 1.579 1 O-C-N 129.18 4.05 . . . . 0.0 112.816 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -73.7 160.82 30.99 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.685 -1.26 . . . . 0.0 112.462 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.0 m -123.88 112.47 17.29 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.845 1.658 . . . . 0.0 108.503 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.9 mt -111.09 149.6 30.59 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-O 123.689 1.709 . . . . 0.0 109.319 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -109.89 137.68 47.33 Favored 'General case' 0 CA--C 1.481 -1.682 0 O-C-N 119.304 -2.122 . . . . 0.0 106.579 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.75 109.64 21.58 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.778 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -103.19 142.05 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.6 mt -116.81 127.35 54.23 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-O 122.045 0.926 . . . . 0.0 110.549 -165.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -61.64 133.82 56.07 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-O 125.109 2.385 . . . . 0.0 114.184 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.65 134.02 34.0 Favored 'General case' 0 C--O 1.188 -2.132 0 CA-C-N 110.727 -2.942 . . . . 0.0 114.5 156.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -48.75 137.09 12.76 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 172.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.99 174.73 19.98 Favored Glycine 0 C--N 1.391 3.632 0 CA-C-O 117.89 -1.506 . . . . 0.0 114.628 171.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.57 0 CA-C-O 114.727 -3.263 . . . . 0.0 111.685 -171.832 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.293 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.593 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -87.55 135.15 33.47 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.131 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -126.54 167.53 21.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 104.94 -2.245 . . . . 0.0 104.94 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -122.09 153.75 38.27 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 123.75 1.738 . . . . 0.0 109.022 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.431 HG13 ' HB2' ' A' ' 67' ' ' LEU . 2.9 t -136.28 125.84 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 O-C-N 120.77 -1.206 . . . . 0.0 107.845 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -106.11 127.97 53.56 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -89.48 155.95 18.96 Favored 'General case' 0 C--O 1.258 1.513 0 CA-C-O 124.96 2.314 . . . . 0.0 109.091 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.64 -37.34 81.19 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.073 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -32.82 68.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 173.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.56 26.46 2.38 Favored Glycine 0 CA--C 1.474 -2.514 0 CA-C-O 118.018 -1.434 . . . . 0.0 114.819 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -108.43 149.94 28.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -116.27 114.07 23.87 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -86.05 138.23 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -109.81 105.44 14.66 Favored 'General case' 0 C--N 1.395 2.554 0 N-CA-C 104.727 -2.323 . . . . 0.0 104.727 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -113.43 124.82 53.33 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 101.119 -3.66 . . . . 0.0 101.119 -161.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -96.71 122.84 40.09 Favored 'General case' 0 N--CA 1.536 3.833 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.992 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.04 166.0 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.798 0 O-C-N 118.09 -2.881 . . . . 0.0 108.341 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -96.13 138.77 21.59 Favored Pre-proline 0 C--O 1.203 -1.37 0 CA-C-N 110.727 -2.942 . . . . 0.0 103.885 171.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.22 -28.06 69.28 Favored 'Trans proline' 0 N--CA 1.533 3.852 0 CA-C-N 122.738 2.014 . . . . 0.0 114.869 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.3 p -89.23 20.76 3.56 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 117.757 -1.116 . . . . 0.0 113.489 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.56 144.99 35.06 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 125.157 1.536 . . . . 0.0 114.398 166.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 26' ' ' VAL . 43.8 p -84.02 160.8 20.92 Favored 'General case' 0 N--CA 1.52 3.035 0 CA-C-N 113.487 -1.688 . . . . 0.0 108.271 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 50' ' ' LEU . 38.9 mm -62.88 -34.84 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 119.422 -2.049 . . . . 0.0 111.239 171.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.42 -42.93 83.29 Favored 'General case' 0 CA--C 1.572 1.827 0 C-N-CA 117.801 -1.56 . . . . 0.0 114.753 170.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -64.46 -37.37 87.3 Favored 'General case' 1 N--CA 1.54 4.048 0 C-N-CA 125.625 1.57 . . . . 0.0 110.799 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 22' ' ' THR . 79.7 t -60.76 -41.74 89.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 126.98 2.675 . . . . 0.0 110.411 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.28 -42.03 97.96 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.716 1.606 . . . . 0.0 112.477 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.56 64.3 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 123.287 1.518 . . . . 0.0 112.575 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.37 -37.47 66.03 Favored 'General case' 0 C--O 1.269 2.101 0 O-C-N 119.842 -1.786 . . . . 0.0 111.47 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.85 -30.11 49.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 O-C-N 123.686 0.617 . . . . 0.0 111.197 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -59.92 -49.46 77.6 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.577 1.551 . . . . 0.0 109.784 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.53 -42.68 99.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 119.32 3.082 . . . . 0.0 119.32 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -121.9 -16.96 7.47 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.183 1.81 . . . . 0.0 112.832 -172.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.88 56.56 8.03 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 -168.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.1 mt -124.47 120.72 25.96 Favored Pre-proline 0 C--N 1.394 2.507 0 CA-C-N 120.345 2.072 . . . . 0.0 106.071 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.34 141.4 95.63 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 CA-C-O 114.167 -2.514 . . . . 0.0 111.492 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -33.6 -44.72 0.32 Allowed 'Trans proline' 0 N--CA 1.527 3.45 1 C-N-CA 128.398 6.065 . . . . 0.0 117.007 172.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -86.68 -5.03 59.24 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.17 -21.81 36.34 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 117.456 -3.278 . . . . 0.0 110.529 167.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.79 122.9 30.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 127.358 2.911 . . . . 0.0 114.236 -170.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -118.21 123.81 46.39 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 50' ' ' LEU . 16.0 mt -105.23 133.84 49.33 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 124.688 2.185 . . . . 0.0 114.466 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -126.52 136.65 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.615 -169.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -131.25 130.05 42.37 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.24 33.58 11.52 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 162.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.19 74.65 Favored Glycine 0 CA--C 1.553 2.444 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.032 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -148.72 148.93 30.59 Favored 'General case' 0 CA--C 1.581 2.137 0 CA-C-N 118.842 1.321 . . . . 0.0 111.75 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.02 136.66 37.26 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 120.28 -1.512 . . . . 0.0 112.203 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 23' ' ' ILE . 20.3 mt -70.73 139.5 51.13 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 117.622 -1.18 . . . . 0.0 113.325 175.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.96 139.46 44.87 Favored 'General case' 0 C--N 1.391 2.384 0 CA-C-N 118.763 0.71 . . . . 0.0 112.418 163.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -62.51 -40.67 97.47 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.51 0.87 75.02 Favored Glycine 0 N--CA 1.488 2.114 0 CA-C-N 120.167 1.349 . . . . 0.0 114.773 -171.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -83.16 150.06 26.48 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 116.307 -1.806 . . . . 0.0 111.228 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.1 p -96.65 164.58 12.53 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 125.315 1.634 . . . . 0.0 111.056 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.04 -19.98 63.27 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.626 1.679 . . . . 0.0 113.506 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -70.3 -35.15 73.5 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 116.465 -1.731 . . . . 0.0 113.744 168.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -65.33 -32.93 74.83 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 120.926 1.694 . . . . 0.0 111.75 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -86.37 -4.22 59.13 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 171.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.4 m120 57.24 38.66 28.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.181 0.515 . . . . 0.0 112.086 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.97 124.99 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.774 0.797 . . . . 0.0 110.988 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.14 153.15 26.17 Favored 'General case' 0 C--O 1.191 -2.0 0 CA-C-N 113.832 -1.531 . . . . 0.0 113.856 173.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -60.68 149.87 33.95 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.684 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 66.1 14.29 9.55 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 124.87 1.268 . . . . 0.0 114.38 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -95.65 170.67 9.17 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 119.234 0.925 . . . . 0.0 109.597 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.1 m -122.66 124.74 44.13 Favored 'General case' 0 C--O 1.19 -2.045 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -167.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.431 ' HB2' HG13 ' A' ' 5' ' ' VAL . 25.6 mt -90.7 139.67 30.5 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 165.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -94.53 144.37 25.64 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 122.84 1.305 . . . . 0.0 109.527 164.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 tp -114.06 128.93 56.6 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t -112.32 139.85 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 128.679 3.737 . . . . 0.0 110.059 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.4 mt -115.41 136.88 52.63 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 120.454 -1.403 . . . . 0.0 111.517 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -64.67 130.65 44.39 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 126.156 2.884 . . . . 0.0 110.702 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 tp -77.44 111.46 13.17 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 111.133 -2.758 . . . . 0.0 110.171 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -149.72 161.5 42.1 Favored 'General case' 0 C--N 1.373 1.62 0 O-C-N 124.851 1.345 . . . . 0.0 110.878 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.22 165.4 27.07 Favored Glycine 0 CA--C 1.556 2.65 0 O-C-N 127.21 2.819 . . . . 0.0 115.63 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.139 0 N-CA-C 107.698 -2.161 . . . . 0.0 107.698 -179.373 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ptt? . . . . . 0 N--CA 1.5 2.056 0 N-CA-C 106.46 -1.682 . . . . 0.0 106.46 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -100.43 147.62 25.65 Favored 'General case' 0 N--CA 1.509 2.498 0 CA-C-N 114.345 -1.298 . . . . 0.0 113.71 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -141.16 159.55 22.87 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -120.83 133.29 55.32 Favored 'General case' 0 CA--C 1.475 -1.924 0 CA-C-N 109.836 -3.347 . . . . 0.0 105.018 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.46 123.98 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.042 0 O-C-N 125.204 1.565 . . . . 0.0 108.008 175.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -103.62 135.29 45.48 Favored 'General case' 0 C--O 1.202 -1.433 0 C-N-CA 127.46 2.304 . . . . 0.0 108.135 -171.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -95.47 166.11 12.02 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 tp -66.96 -30.67 70.86 Favored 'General case' 0 CA--C 1.576 1.967 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -92.76 17.58 10.19 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-O 116.522 -1.704 . . . . 0.0 115.034 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 -18.22 33.24 Favored Glycine 0 N--CA 1.514 3.838 0 CA-C-N 121.307 1.867 . . . . 0.0 115.437 158.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -68.54 151.57 46.58 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.489 -1.243 . . . . 0.0 113.175 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.0 m -125.22 133.44 52.72 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 123.519 2.872 . . . . 0.0 108.738 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.43 128.95 63.6 Favored 'Isoleucine or valine' 0 C--N 1.401 2.807 0 O-C-N 118.697 -2.502 . . . . 0.0 107.735 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -108.11 116.65 32.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.589 1.54 . . . . 0.0 107.396 -166.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD11 ' CG1' ' A' ' 30' ' ' ILE . 12.1 mt -115.62 135.25 54.25 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 112.146 -2.297 . . . . 0.0 110.686 -169.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -101.45 119.99 39.6 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.63 169.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 C-N-CA 126.863 2.065 . . . . 0.0 110.054 -164.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -119.41 154.54 54.2 Favored Pre-proline 0 C--N 1.368 1.401 0 O-C-N 120.698 -1.251 . . . . 0.0 113.853 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -41.75 -46.75 6.44 Favored 'Trans proline' 1 N--CA 1.547 4.673 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 171.253 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 p -86.74 25.84 1.21 Allowed 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 125.729 1.612 . . . . 0.0 110.684 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -100.19 136.97 39.26 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 168.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -78.44 162.61 26.27 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 124.478 2.085 . . . . 0.0 112.471 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.42 -34.99 73.77 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 113.202 -1.817 . . . . 0.0 109.625 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.77 -42.91 76.21 Favored 'General case' 0 C--N 1.373 1.619 0 CA-C-O 122.984 1.373 . . . . 0.0 114.308 171.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -67.01 -43.24 83.37 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-N 111.736 -2.484 . . . . 0.0 114.634 172.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.9 -42.56 95.15 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.205 0 O-C-N 119.549 -1.97 . . . . 0.0 109.667 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.48 -44.57 95.8 Favored 'General case' 0 N--CA 1.527 3.398 0 CA-C-O 122.874 1.321 . . . . 0.0 111.139 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.78 68.23 Favored 'General case' 0 CA--C 1.56 1.335 0 O-C-N 118.598 -2.564 . . . . 0.0 113.783 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -68.17 -35.7 78.46 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.113 0.87 . . . . 0.0 110.442 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CG1' HD11 ' A' ' 15' ' ' LEU . 79.5 mt -74.51 -25.06 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.803 1.241 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.39 -45.78 87.67 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 127.563 2.345 . . . . 0.0 113.51 170.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -74.71 -21.96 59.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 126.307 2.254 . . . . 0.0 111.387 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -85.36 -62.1 1.61 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 122.615 1.198 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -115.29 14.71 16.9 Favored 'General case' 0 C--O 1.189 -2.121 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.908 -169.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.68 30.15 66.67 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 119.923 -1.735 . . . . 0.0 113.64 168.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mt -95.86 120.01 63.85 Favored Pre-proline 0 CA--C 1.576 1.979 0 CA-C-N 119.608 1.704 . . . . 0.0 110.339 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.97 130.9 8.19 Favored 'Trans proline' 0 N--CA 1.518 2.968 0 CA-C-N 120.561 1.236 . . . . 0.0 114.165 162.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -68.52 -34.35 20.22 Favored 'Trans proline' 0 N--CA 1.518 2.952 0 CA-C-O 122.059 0.774 . . . . 0.0 112.839 -160.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.26 -10.52 57.6 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.094 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -71.64 -14.3 62.02 Favored 'General case' 0 C--N 1.371 1.524 0 CA-C-N 122.877 2.58 . . . . 0.0 111.485 164.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -83.29 125.2 31.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 118.362 -2.711 . . . . 0.0 114.961 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.294 85.8 mtt180 -106.68 111.9 24.65 Favored 'General case' 0 N--CA 1.418 -2.028 0 C-N-CA 125.189 1.396 . . . . 0.0 110.792 163.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 43' ' ' LEU . 8.4 mt -99.28 111.02 23.48 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.4 mt -113.6 134.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.89 0 CA-C-O 124.441 2.067 . . . . 0.0 106.127 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -133.83 125.72 29.0 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 119.056 -2.277 . . . . 0.0 107.322 170.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.93 61.79 2.93 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 125.989 2.055 . . . . 0.0 113.414 166.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 5.2 88.59 Favored Glycine 0 N--CA 1.509 3.536 0 CA-C-N 113.324 -1.762 . . . . 0.0 114.751 165.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -154.49 163.85 39.56 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -71.63 150.17 44.89 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 mt -85.16 126.01 33.29 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.576 160.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.17 140.64 58.43 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 123.599 1.666 . . . . 0.0 113.99 166.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.38 -36.41 79.13 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -167.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.91 5.57 70.15 Favored Glycine 0 N--CA 1.512 3.705 0 C-N-CA 127.762 2.601 . . . . 0.0 111.59 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -110.95 154.92 23.43 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.083 1.942 . . . . 0.0 106.111 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -90.16 159.85 16.55 Favored 'General case' 0 N--CA 1.426 -1.633 0 O-C-N 124.088 0.867 . . . . 0.0 112.381 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 118.774 -2.454 . . . . 0.0 111.783 162.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -68.8 -33.4 73.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.954 1.252 . . . . 0.0 110.497 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -60.25 -45.76 92.15 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 127.456 2.302 . . . . 0.0 113.487 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -86.32 -6.8 58.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.793 1.308 . . . . 0.0 108.425 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 77.52 29.72 0.52 Allowed 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -95.35 123.91 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.191 0 CA-C-O 115.558 -2.163 . . . . 0.0 108.562 -164.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -93.77 162.39 13.94 Favored 'General case' 0 C--O 1.194 -1.86 0 O-C-N 126.708 2.505 . . . . 0.0 111.435 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.57 151.95 0.07 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 166.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.37 44.6 mt-10 72.99 -9.88 1.07 Allowed 'General case' 0 C--O 1.194 -1.854 0 O-C-N 119.348 -2.095 . . . . 0.0 114.423 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -52.42 147.1 8.56 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 122.725 2.511 . . . . 0.0 116.991 172.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -99.91 114.34 27.51 Favored 'General case' 0 C--N 1.373 1.61 0 N-CA-C 105.669 -1.975 . . . . 0.0 105.669 175.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.35 159.02 16.21 Favored 'General case' 0 CA--C 1.491 -1.312 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -117.58 142.26 47.4 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 120.803 1.638 . . . . 0.0 109.652 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.72 121.81 43.62 Favored 'General case' 0 N--CA 1.52 3.035 0 O-C-N 128.347 3.53 . . . . 0.0 112.795 -174.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t -122.25 153.35 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 169.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.8 mt -115.18 144.74 43.22 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 127.03 2.132 . . . . 0.0 109.979 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . 0.252 72.9 mtt85 -87.26 137.17 32.57 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 118.9 -2.375 . . . . 0.0 116.489 -169.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.4 mt -123.38 2.85 9.11 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 119.033 -2.292 . . . . 0.0 108.937 166.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -155.77 142.17 18.55 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 126.008 2.068 . . . . 0.0 107.424 170.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -40.29 149.66 0.15 Allowed Glycine 0 C--N 1.375 2.735 0 N-CA-C 120.484 2.954 . . . . 0.0 120.484 -174.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 O-C-N 121.404 -1.057 . . . . 0.0 114.192 174.949 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -85.02 145.15 27.84 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-O 124.028 1.871 . . . . 0.0 109.603 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 pt -128.52 159.34 40.2 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 CA-C-N 111.288 -2.687 . . . . 0.0 106.006 164.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -109.41 135.14 50.93 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.335 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.36 115.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.846 0 O-C-N 124.887 1.367 . . . . 0.0 108.675 169.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.365 47.0 mtpt -107.08 118.25 36.2 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 123.725 1.726 . . . . 0.0 114.297 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.3 p -61.63 163.79 6.74 Favored 'General case' 0 C--N 1.423 3.786 0 O-C-N 117.935 -2.978 . . . . 0.0 114.072 171.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.2 -39.37 94.46 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 121.376 -0.828 . . . . 0.0 112.677 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.261 25.5 p -78.75 -17.23 56.14 Favored 'General case' 0 C--N 1.378 1.83 0 O-C-N 117.924 -2.985 . . . . 0.0 116.259 174.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.6 4.24 Favored Glycine 0 CA--C 1.557 2.711 0 CA-C-O 113.553 -3.915 . . . . 0.0 121.359 164.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -78.29 134.07 37.57 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 121.146 2.473 . . . . 0.0 114.06 165.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.8 m -96.55 126.29 41.63 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 124.88 1.362 . . . . 0.0 108.853 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.43 113.24 43.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 173.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.5 m -90.66 114.26 26.51 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 112.907 -1.951 . . . . 0.0 107.153 -172.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 mt -110.32 137.59 47.84 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 123.458 0.703 . . . . 0.0 112.054 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -101.33 118.22 36.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.616 -1.174 . . . . 0.0 111.173 172.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -147.56 160.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 O-C-N 124.739 1.274 . . . . 0.0 107.967 -174.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 31.0 mt-10 -100.77 165.59 14.02 Favored Pre-proline 0 CA--C 1.572 1.809 0 CA-C-O 117.248 -1.358 . . . . 0.0 109.0 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.57 -32.13 79.67 Favored 'Trans proline' 0 N--CA 1.531 3.692 0 CA-C-N 122.894 2.069 . . . . 0.0 116.097 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -93.79 5.85 50.31 Favored 'General case' 0 CA--C 1.567 1.611 0 O-C-N 120.389 -1.445 . . . . 0.0 110.595 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.53 154.4 32.61 Favored 'General case' 0 C--N 1.38 1.916 0 CA-C-O 123.442 1.591 . . . . 0.0 112.601 157.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.6 p -112.52 171.67 7.38 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 113.63 -1.623 . . . . 0.0 112.294 -164.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.16 -35.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.56 166.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.32 -36.14 81.26 Favored 'General case' 0 N--CA 1.518 2.975 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.949 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -60.39 -44.17 95.92 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.989 169.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.86 -47.06 89.94 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 CA-C-N 120.032 1.287 . . . . 0.0 112.675 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.68 -45.22 89.93 Favored 'General case' 0 C--N 1.375 1.676 0 CA-C-N 121.065 1.757 . . . . 0.0 115.095 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . 0.254 . . -57.37 -43.43 83.57 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 125.022 2.344 . . . . 0.0 112.053 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -66.29 -29.45 69.67 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 174.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -83.83 -25.31 7.6 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 125.512 1.758 . . . . 0.0 112.821 171.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.99 -50.0 70.07 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 157.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -61.5 -39.83 92.39 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 122.611 1.196 . . . . 0.0 114.003 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -80.93 -77.49 0.2 Allowed 'General case' 0 C--N 1.364 1.226 0 CA-C-O 114.774 -2.536 . . . . 0.0 111.675 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.301 76.7 mm-40 -88.4 -4.88 58.57 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.66 24.25 33.69 Favored Glycine 0 C--O 1.214 -1.129 0 O-C-N 127.255 2.847 . . . . 0.0 115.515 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.8 mt -96.27 132.53 26.51 Favored Pre-proline 0 N--CA 1.483 1.19 0 CA-C-O 116.427 -1.749 . . . . 0.0 111.733 -164.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -55.01 131.69 47.92 Favored 'Trans proline' 0 CA--C 1.563 1.955 0 C-N-CA 122.162 1.908 . . . . 0.0 112.367 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -47.95 -35.92 26.16 Favored 'Trans proline' 0 N--CA 1.508 2.366 1 C-N-CA 126.313 4.675 . . . . 0.0 114.032 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.7 -16.92 60.1 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-N 119.856 1.207 . . . . 0.0 113.32 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -87.26 -13.41 43.84 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 119.875 -1.765 . . . . 0.0 107.857 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.85 131.26 38.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 -168.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.08 113.7 23.52 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 160.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -105.77 124.61 49.85 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -123.18 133.5 68.93 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-O 124.135 1.922 . . . . 0.0 108.936 -163.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -146.72 147.2 30.72 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 104.986 -2.227 . . . . 0.0 104.986 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.91 36.17 23.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.072 1.749 . . . . 0.0 114.713 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.75 11.86 85.02 Favored Glycine 0 C--N 1.3 -1.422 0 N-CA-C 118.109 2.004 . . . . 0.0 118.109 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -149.75 153.92 37.66 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 119.846 1.823 . . . . 0.0 107.078 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.88 124.76 24.58 Favored 'General case' 0 C--O 1.258 1.508 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.104 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -66.71 147.67 52.95 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 112.495 -2.139 . . . . 0.0 113.688 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -104.26 140.89 37.21 Favored 'General case' 0 CA--C 1.578 2.041 0 O-C-N 124.428 1.08 . . . . 0.0 111.764 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.63 -50.52 24.2 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.56 -6.46 81.07 Favored Glycine 0 C--O 1.203 -1.805 0 CA-C-O 117.981 -1.455 . . . . 0.0 115.406 -170.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -92.33 166.26 12.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 123.359 1.552 . . . . 0.0 109.909 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -99.95 164.15 12.13 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.164 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.16 -30.38 71.54 Favored 'General case' 0 C--O 1.28 2.697 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.787 162.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -61.66 -39.94 93.14 Favored 'General case' 0 C--N 1.379 1.865 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 166.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.18 -33.37 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.325 1.05 . . . . 0.0 113.763 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -95.6 -5.31 42.81 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.43 64.95 0.78 Allowed 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 125.023 1.329 . . . . 0.0 110.761 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.2 mm -100.23 110.47 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 CA-C-O 125.921 2.772 . . . . 0.0 108.782 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -76.4 167.92 20.99 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 110.046 -3.252 . . . . 0.0 116.548 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -69.57 116.81 10.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.806 -166.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 82.8 29.56 0.1 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.692 2.187 . . . . 0.0 108.656 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 t -77.2 153.88 33.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 118.954 -2.341 . . . . 0.0 116.499 169.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.1 m -102.04 121.16 41.65 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 118.614 -2.554 . . . . 0.0 112.516 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.89 141.25 31.1 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 125.286 2.47 . . . . 0.0 111.498 161.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -89.67 137.67 32.13 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 119.96 -1.712 . . . . 0.0 109.117 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.9 tp -120.36 128.49 53.29 Favored 'General case' 0 C--O 1.264 1.829 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.5 t -134.56 143.88 36.56 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.406 0 N-CA-C 102.017 -3.327 . . . . 0.0 102.017 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.6 mt -105.33 153.83 21.1 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 123.874 0.734 . . . . 0.0 110.834 -169.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -66.98 127.82 33.99 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 170.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -89.29 134.98 33.83 Favored 'General case' 0 N--CA 1.408 -2.541 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -106.89 140.48 39.64 Favored 'General case' 0 N--CA 1.414 -2.273 0 CA-C-O 123.23 1.49 . . . . 0.0 109.345 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.93 -140.81 15.85 Favored Glycine 0 N--CA 1.481 1.673 0 N-CA-C 106.078 -2.809 . . . . 0.0 106.078 -173.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.849 0 CA-C-O 116.942 -2.032 . . . . 0.0 113.44 172.498 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 CA--C 1.555 1.171 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -106.73 124.09 49.1 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.82 152.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -105.29 138.74 41.02 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-O 123.313 1.53 . . . . 0.0 109.1 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.17 120.71 65.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 O-C-N 120.468 -1.395 . . . . 0.0 107.919 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -97.32 111.18 23.54 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.08 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -67.23 162.75 21.91 Favored 'General case' 0 C--N 1.411 3.278 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.98 -38.53 91.28 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 117.303 2.335 . . . . 0.0 117.303 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p -79.01 -15.02 58.83 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 168.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.68 27.99 2.2 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 118.959 2.343 . . . . 0.0 118.959 157.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -92.52 159.18 15.63 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 m -104.64 130.11 52.69 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 pt -116.96 145.44 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 CA-C-O 122.474 1.13 . . . . 0.0 110.299 161.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -110.85 122.86 48.91 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.902 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 mt -117.22 133.17 56.31 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 109.354 -174.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.79 113.37 22.56 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.532 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -128.56 172.53 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.686 1.195 . . . . 0.0 112.839 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.26 158.26 41.67 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -58.76 -32.87 97.9 Favored 'Trans proline' 0 N--CA 1.518 2.961 0 C-N-CA 120.96 1.107 . . . . 0.0 114.632 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -81.42 0.53 37.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 127.042 2.714 . . . . 0.0 115.902 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -74.09 131.15 41.04 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 125.016 2.341 . . . . 0.0 111.495 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.1 p -75.86 155.21 35.52 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.805 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.91 -35.69 52.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.229 0 CA-C-N 110.337 -3.12 . . . . 0.0 111.493 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.45 -45.17 55.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 127.446 2.966 . . . . 0.0 112.873 165.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.69 -30.99 24.35 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 118.298 -2.751 . . . . 0.0 109.565 -172.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.76 -34.41 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.975 0 CA-C-N 119.724 1.147 . . . . 0.0 111.988 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -66.67 -34.89 78.87 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.502 -0.749 . . . . 0.0 111.331 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.29 96.87 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.605 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -60.6 -38.28 84.16 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 167.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.91 -42.9 94.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-N 120.191 1.359 . . . . 0.0 111.406 166.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -57.36 -43.82 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 121.607 2.003 . . . . 0.0 111.3 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -53.5 -61.93 1.98 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -62.24 -50.84 70.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.118 1.767 . . . . 0.0 111.805 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -98.94 -12.36 20.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.097 2.999 . . . . 0.0 119.097 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.86 78.44 Favored Glycine 0 C--O 1.175 -3.542 0 O-C-N 118.795 -2.441 . . . . 0.0 115.027 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.56 118.91 60.04 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 119.038 -2.448 . . . . 0.0 110.225 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -46.92 135.75 17.59 Favored 'Trans proline' 1 N--CA 1.548 4.69 0 CA-C-N 123.593 2.319 . . . . 0.0 117.739 167.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -50.37 -36.79 49.04 Favored 'Trans proline' 0 C--O 1.208 -0.994 0 C-N-CA 122.27 1.98 . . . . 0.0 116.754 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.22 -39.01 13.18 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 129.227 4.079 . . . . 0.0 112.0 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -97.21 8.54 44.34 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 124.783 1.302 . . . . 0.0 111.837 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -106.01 138.73 41.69 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.967 1.307 . . . . 0.0 110.301 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -125.11 137.11 54.18 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.602 1.561 . . . . 0.0 107.454 161.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -112.73 140.01 47.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.329 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.35 148.16 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.809 0 O-C-N 125.119 1.512 . . . . 0.0 113.097 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -141.28 130.27 23.22 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.594 1.557 . . . . 0.0 112.015 160.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.78 39.76 30.75 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.439 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.64 13.57 74.76 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 120.606 -1.309 . . . . 0.0 115.124 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -123.21 128.14 49.6 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 122.816 -0.226 . . . . 0.0 111.55 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -74.92 153.5 38.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 118.819 -1.153 . . . . 0.0 112.7 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.2 mt -108.85 126.93 53.58 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.933 0.873 . . . . 0.0 112.686 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.84 134.83 47.66 Favored 'General case' 0 C--N 1.378 1.806 0 C-N-CA 124.668 1.187 . . . . 0.0 113.012 170.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -58.28 -32.7 68.65 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.344 1.858 . . . . 0.0 113.919 -170.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.57 -10.67 81.33 Favored Glycine 0 C--O 1.194 -2.364 0 C-N-CA 124.487 1.042 . . . . 0.0 111.659 -172.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -89.27 141.84 28.18 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 119.882 -1.952 . . . . 0.0 110.561 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 65.9 p -82.16 172.63 12.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 124.207 1.956 . . . . 0.0 116.094 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.85 -28.58 66.22 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.707 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -91.35 -6.97 52.18 Favored 'General case' 0 N--CA 1.507 2.4 0 C-N-CA 125.346 1.458 . . . . 0.0 110.595 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -94.8 -13.39 25.65 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 167.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -101.69 6.58 41.95 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 115.728 -2.082 . . . . 0.0 110.896 160.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 53.39 48.32 22.17 Favored 'General case' 0 N--CA 1.415 -2.216 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mm -88.43 114.32 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.705 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . 0.264 16.3 mm100 -100.08 162.87 12.7 Favored 'General case' 0 C--O 1.194 -1.818 0 O-C-N 118.185 -2.822 . . . . 0.0 107.997 166.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 155.77 2.55 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -174.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.273 45.2 mt-10 78.26 1.97 2.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -79.8 137.72 37.05 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.9 m -93.97 111.29 22.98 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 126.844 2.59 . . . . 0.0 106.855 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.41 148.39 22.28 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 110.446 -3.07 . . . . 0.0 103.146 163.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.2 131.94 55.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.951 -1.718 . . . . 0.0 109.833 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -98.35 130.32 45.01 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.097 0.873 . . . . 0.0 112.745 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 CA--C 1.51 -0.566 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 178.065 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.47 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.219 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.59 139.69 51.4 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 124.205 1.955 . . . . 0.0 115.707 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -128.07 167.28 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.874 0 O-C-N 120.927 -1.108 . . . . 0.0 109.058 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -125.48 130.11 51.14 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.277 -0.889 . . . . 0.0 110.207 -165.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -117.94 128.43 75.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 0 C-N-CA 125.194 1.398 . . . . 0.0 109.434 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -92.06 124.09 35.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 126.688 2.493 . . . . 0.0 108.746 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -82.56 -169.36 2.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.613 -161.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -20.46 64.71 Favored 'General case' 0 C--O 1.26 1.629 0 O-C-N 118.511 -2.618 . . . . 0.0 111.123 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 m -94.37 -23.93 17.59 Favored 'General case' 0 CA--C 1.585 2.311 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.48 -5.11 19.38 Favored Glycine 1 N--CA 1.524 4.533 0 C-N-CA 130.442 3.877 . . . . 0.0 113.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -70.04 157.98 36.52 Favored 'General case' 0 C--N 1.388 2.279 0 C-N-CA 125.785 1.634 . . . . 0.0 107.417 -171.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -111.37 121.57 45.57 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 123.252 1.501 . . . . 0.0 109.585 -172.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -122.03 135.22 62.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -107.44 126.51 52.59 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 mt -118.31 134.63 54.87 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -100.78 131.24 46.76 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 115.762 -2.066 . . . . 0.0 105.511 -172.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 m -159.87 155.59 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 125.306 1.629 . . . . 0.0 110.365 -160.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.25 31.7 mt-10 -93.34 145.06 29.31 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 102.902 -2.999 . . . . 0.0 102.902 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -43.89 -27.17 1.56 Allowed 'Trans proline' 1 C--N 1.26 -4.089 0 N-CA-C 121.262 3.524 . . . . 0.0 121.262 158.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p -79.86 -14.8 58.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 126.85 2.594 . . . . 0.0 108.994 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -66.45 142.25 57.63 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-O 124.18 1.943 . . . . 0.0 111.263 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.9 p -86.63 155.92 20.23 Favored 'General case' 0 CA--C 1.474 -1.978 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.1 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.65 -31.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 125.332 1.645 . . . . 0.0 110.608 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.0 -38.66 76.55 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.057 -2.277 . . . . 0.0 114.394 165.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.28 -42.2 65.82 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 124.28 1.032 . . . . 0.0 110.852 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -58.65 -35.4 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 CA-C-N 120.158 1.344 . . . . 0.0 110.846 173.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' HG22 ' A' ' 30' ' ' ILE . 53.9 mtmt -70.92 -32.57 69.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 119.413 -2.054 . . . . 0.0 116.35 170.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.68 95.28 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.521 1.763 . . . . 0.0 112.111 168.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -61.37 -42.36 98.59 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 116.276 -1.821 . . . . 0.0 115.099 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.444 HG22 ' HA ' ' A' ' 27' ' ' LYS . 8.2 tp -64.23 -36.44 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 167.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.23 -46.31 90.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 118.629 -2.544 . . . . 0.0 112.008 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -58.3 -48.3 80.94 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 125.099 1.5 . . . . 0.0 111.39 170.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -75.85 -34.74 60.07 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -134.97 4.69 3.27 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 119.19 -2.194 . . . . 0.0 113.001 -168.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 39.01 73.77 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-O 116.757 -2.135 . . . . 0.0 114.163 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.3 135.49 24.32 Favored Pre-proline 0 CA--C 1.598 2.793 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.586 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.22 110.9 0.61 Allowed 'Trans proline' 1 N--CA 1.542 4.367 0 C-N-CA 125.076 3.85 . . . . 0.0 108.462 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -72.11 -43.66 1.08 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 N-CA-C 116.429 1.665 . . . . 0.0 116.429 -161.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.23 -13.48 58.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 127.656 3.098 . . . . 0.0 112.975 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -79.1 -26.56 42.95 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 127.099 2.16 . . . . 0.0 114.069 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.93 154.29 18.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-O 124.47 2.081 . . . . 0.0 110.772 173.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -122.55 131.9 54.05 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-N 110.995 -2.821 . . . . 0.0 105.77 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.6 mt -77.1 132.42 38.86 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 124.512 2.101 . . . . 0.0 113.856 169.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mm -109.1 137.23 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.991 -2.368 . . . . 0.0 106.718 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -132.41 134.03 44.63 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 123.281 1.515 . . . . 0.0 109.899 168.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.259 . . 50.03 35.01 8.98 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 118.304 -2.747 . . . . 0.0 115.46 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -12.5 58.97 Favored Glycine 0 C--N 1.361 1.939 0 C-N-CA 124.973 1.273 . . . . 0.0 110.641 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -130.03 135.14 47.93 Favored 'General case' 0 C--O 1.197 -1.667 0 CA-C-O 123.429 1.585 . . . . 0.0 112.784 -162.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.72 151.75 44.55 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 113.044 -1.889 . . . . 0.0 110.507 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -115.51 130.23 56.81 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 112.929 -1.942 . . . . 0.0 108.025 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.51 138.59 32.69 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.117 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -54.77 -46.38 74.39 Favored 'General case' 0 C--O 1.258 1.541 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -166.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.41 -10.18 86.41 Favored Glycine 0 CA--C 1.566 3.243 0 CA-C-N 119.212 0.914 . . . . 0.0 115.119 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -82.8 161.31 22.03 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 126.005 1.65 . . . . 0.0 111.797 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 p -103.19 168.74 8.98 Favored 'General case' 0 C--N 1.371 1.509 0 O-C-N 121.144 -0.973 . . . . 0.0 110.489 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.39 -31.9 72.43 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 119.509 -0.876 . . . . 0.0 112.646 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 t -74.78 -28.06 60.59 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 123.641 0.776 . . . . 0.0 112.369 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.94 -48.15 80.77 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.84 1.781 . . . . 0.0 110.133 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -82.45 -17.56 44.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 112.815 -1.993 . . . . 0.0 114.241 176.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 69.1 53.45 0.46 Allowed 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 125.51 1.524 . . . . 0.0 112.69 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -99.37 116.36 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 O-C-N 118.92 -2.362 . . . . 0.0 109.547 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -94.26 162.44 13.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 1' ' ' MET 0.33 0.0 OUTLIER -42.97 150.24 0.17 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 178.564 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.294 40.1 mt-10 65.35 21.68 11.96 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 113.096 -1.866 . . . . 0.0 115.554 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -86.79 148.71 25.29 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.6 m -99.2 118.16 35.29 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 124.82 2.247 . . . . 0.0 115.233 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mp -108.62 147.07 32.4 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 119.458 -2.026 . . . . 0.0 107.985 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -108.67 134.74 51.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.2 134.89 35.32 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.969 0.89 . . . . 0.0 111.13 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.25 1.4 p . . . . . 0 N--CA 1.501 2.077 0 O-C-N 119.711 -1.868 . . . . 0.0 110.712 169.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 116.961 -1.495 . . . . 0.0 108.667 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -85.08 137.7 32.88 Favored 'General case' 0 C--O 1.181 -2.513 0 CA-C-N 119.753 1.16 . . . . 0.0 112.184 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 pt -138.4 161.05 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.496 0 O-C-N 125.961 2.038 . . . . 0.0 111.426 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.2 m-85 -127.87 128.09 44.56 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 114.371 -1.286 . . . . 0.0 107.692 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.65 129.49 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -87.72 100.37 12.78 Favored 'General case' 0 C--N 1.282 -2.352 0 O-C-N 125.582 1.802 . . . . 0.0 109.322 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 21.4 p -65.76 160.52 22.8 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.582 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.66 -45.36 63.35 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 125.951 2.032 . . . . 0.0 112.98 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -87.28 -8.0 57.23 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -163.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 26.0 4.54 Favored Glycine 0 C--N 1.363 2.037 0 CA-C-O 117.847 -1.529 . . . . 0.0 115.133 163.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -100.48 133.77 44.42 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 118.314 1.057 . . . . 0.0 110.105 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -84.74 106.67 16.46 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 123.777 0.673 . . . . 0.0 111.174 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 mm -101.75 120.1 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -171.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -82.7 135.04 35.12 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.006 -1.683 . . . . 0.0 108.997 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.12 164.32 31.01 Favored 'General case' 0 C--N 1.382 1.996 0 O-C-N 124.291 0.994 . . . . 0.0 112.092 170.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -121.45 124.83 45.41 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 123.708 1.718 . . . . 0.0 108.289 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.3 t -126.73 133.07 69.39 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 CA-C-N 112.837 -1.983 . . . . 0.0 109.167 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -59.76 123.98 74.11 Favored Pre-proline 0 N--CA 1.411 -2.382 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.885 164.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -73.95 0.98 7.61 Favored 'Trans proline' 0 CA--C 1.48 -2.184 0 N-CA-C 115.194 1.19 . . . . 0.0 115.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.32 -1.09 42.55 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 118.72 -1.192 . . . . 0.0 111.282 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -76.1 168.97 19.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.511 -1.368 . . . . 0.0 108.782 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 34.2 p -81.2 153.84 26.98 Favored 'General case' 0 CA--C 1.567 1.602 0 O-C-N 124.947 1.404 . . . . 0.0 110.353 171.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 mm -52.08 -32.12 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.966 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.85 -32.05 60.19 Favored 'General case' 0 N--CA 1.524 3.228 0 CA-C-O 124.11 1.91 . . . . 0.0 112.069 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -57.3 -40.71 78.42 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 118.723 -2.485 . . . . 0.0 115.655 173.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.53 -42.06 92.55 Favored 'Isoleucine or valine' 0 C--N 1.376 1.725 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -63.2 -38.57 91.7 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.03 82.6 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -64.74 -44.42 90.19 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 116.315 -1.802 . . . . 0.0 111.606 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.4 -35.13 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 CA-C-N 120.094 1.316 . . . . 0.0 111.848 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -60.45 -43.64 96.66 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 116.837 -1.554 . . . . 0.0 112.329 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -64.43 -53.03 54.73 Favored 'General case' 0 C--N 1.396 2.608 0 C-N-CA 125.651 1.58 . . . . 0.0 112.195 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 10.0 mmpt? -55.6 -48.66 74.51 Favored 'General case' 0 C--O 1.274 2.353 0 CA-C-O 125.143 2.402 . . . . 0.0 115.147 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -121.93 -8.15 8.89 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -165.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.76 18.2 79.14 Favored Glycine 0 N--CA 1.487 2.096 0 CA-C-N 120.634 1.561 . . . . 0.0 115.781 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mt -88.98 121.81 69.4 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 115.551 -2.166 . . . . 0.0 111.449 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.67 136.95 72.97 Favored 'Trans proline' 0 N--CA 1.507 2.291 0 C-N-CA 122.819 2.346 . . . . 0.0 111.822 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -80.42 -19.29 9.09 Favored 'Trans proline' 0 N--CA 1.517 2.888 0 CA-C-N 122.846 2.052 . . . . 0.0 115.783 -171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -68.22 -34.03 75.5 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 116.337 1.976 . . . . 0.0 116.337 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -79.63 -11.67 59.86 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.694 -1.594 . . . . 0.0 113.248 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -78.39 139.46 38.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 123.403 1.573 . . . . 0.0 111.682 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.534 ' HB2' HG23 ' A' ' 70' ' ' VAL . 23.0 mmt85 -124.12 121.79 36.09 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 169.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.5 mt -95.83 140.49 30.53 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 126.302 2.251 . . . . 0.0 108.007 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.73 129.21 68.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -134.77 137.19 43.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 101.573 -3.491 . . . . 0.0 101.573 162.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 33.73 68.03 0.18 Allowed 'General case' 0 C--N 1.366 1.284 0 N-CA-C 121.178 3.77 . . . . 0.0 121.178 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.89 -20.91 44.59 Favored Glycine 0 N--CA 1.484 1.843 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 161.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -128.97 138.83 52.19 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-N 118.766 1.283 . . . . 0.0 113.248 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -73.13 121.14 19.75 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.65 137.36 58.06 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 128.113 2.565 . . . . 0.0 107.214 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -99.23 137.96 36.99 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-O 123.061 1.41 . . . . 0.0 107.471 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -52.23 -44.34 64.77 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -166.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.63 87.49 Favored Glycine 0 N--CA 1.487 2.098 0 O-C-N 126.992 2.683 . . . . 0.0 118.137 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 mtt-85 -91.26 172.73 8.34 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 118.7 1.25 . . . . 0.0 108.638 -176.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 55.6 p -97.25 160.37 14.37 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 118.452 0.569 . . . . 0.0 110.61 177.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' H ' HD12 ' A' ' 56' ' ' LEU . 5.9 mp -57.39 -34.77 69.22 Favored 'General case' 0 CA--C 1.564 1.507 0 O-C-N 125.901 2.001 . . . . 0.0 113.049 162.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.3 t -60.13 -33.82 72.67 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-O 115.089 -2.386 . . . . 0.0 113.655 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.24 -44.5 95.18 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.35 -3.72 55.97 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 126.441 2.338 . . . . 0.0 113.601 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 m120 62.62 47.1 5.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 118.788 0.722 . . . . 0.0 111.989 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -76.46 123.57 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -81.01 151.75 28.28 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.356 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -59.27 138.01 57.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 127.193 2.808 . . . . 0.0 111.548 167.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.291 30.3 mt-10 67.63 20.66 9.57 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.712 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.1 m -58.49 145.84 37.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.239 -1.538 . . . . 0.0 115.116 166.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 54.5 m -110.78 121.55 45.61 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 118.412 -0.804 . . . . 0.0 108.841 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.83 140.04 49.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.03 0.932 . . . . 0.0 109.237 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -92.47 148.29 22.22 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-O 124.297 1.999 . . . . 0.0 111.309 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 24.9 tp -108.88 111.25 22.86 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 112.215 -2.266 . . . . 0.0 114.79 171.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.534 HG23 ' HB2' ' A' ' 42' ' ' ARG . 8.5 m . . . . . 0 CA--C 1.499 -0.982 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 168.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 N--CA 1.551 4.592 0 CA-C-O 122.682 1.23 . . . . 0.0 108.841 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.34 136.02 49.46 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 166.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.91 162.6 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.543 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -104.47 158.18 16.65 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.803 2.24 . . . . 0.0 109.491 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 67' ' ' LEU . 38.1 t -130.07 127.9 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 25.1 tptp -119.71 126.84 52.05 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.125 1.44 . . . . 0.0 107.368 -170.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -113.18 158.07 20.9 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.478 1.132 . . . . 0.0 111.459 -165.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.23 -25.12 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.986 -1.071 . . . . 0.0 113.264 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -66.92 -18.01 65.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 169.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.57 38.43 3.46 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 116.206 1.242 . . . . 0.0 116.206 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -121.46 141.9 50.56 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -106.38 117.24 33.52 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 167.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.2 mm -106.91 134.1 49.56 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -98.98 125.11 44.36 Favored 'General case' 0 C--N 1.366 1.297 0 CA-C-O 123.722 1.725 . . . . 0.0 113.201 169.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 26' ' ' VAL . 1.7 pt? -140.46 139.2 35.13 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 117.772 -3.08 . . . . 0.0 109.437 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.49 118.02 35.79 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 112.058 -2.337 . . . . 0.0 111.449 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.83 163.6 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 124.9 1.375 . . . . 0.0 109.736 -161.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -116.44 160.73 34.96 Favored Pre-proline 0 C--O 1.192 -1.923 0 CA-C-O 115.916 -1.993 . . . . 0.0 111.181 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -67.63 -19.42 48.03 Favored 'Trans proline' 2 N--CA 1.544 4.49 0 N-CA-C 116.1 1.538 . . . . 0.0 116.1 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.2 p -79.71 -22.06 43.84 Favored 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 116.128 -1.891 . . . . 0.0 110.791 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.69 140.21 47.94 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 121.191 1.814 . . . . 0.0 111.781 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 p -89.78 158.28 17.57 Favored 'General case' 0 C--N 1.379 1.884 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.48 -31.88 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 CA-C-N 112.968 -1.924 . . . . 0.0 110.127 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.21 -53.08 55.92 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 161.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -57.67 -45.05 86.08 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.604 HG13 HD11 ' A' ' 15' ' ' LEU . 60.8 t -61.1 -39.9 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 CA-C-N 119.199 0.909 . . . . 0.0 113.312 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.45 -42.06 95.39 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 169.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' A' ' 31' ' ' GLN . . . -65.53 -36.67 84.52 Favored 'General case' 0 CA--C 1.576 1.951 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 175.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -63.35 -46.11 88.07 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 167.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.4 HD11 HD22 ' A' ' 15' ' ' LEU . 25.4 mm -69.39 -35.47 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.223 0 O-C-N 125.182 1.551 . . . . 0.0 111.012 174.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 1.7 tp-100 -56.51 -43.57 79.87 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.045 167.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -67.93 -45.95 72.85 Favored 'General case' 0 C--O 1.252 1.205 0 O-C-N 124.502 1.126 . . . . 0.0 113.49 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -66.13 -45.69 80.2 Favored 'General case' 0 C--O 1.257 1.464 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -119.74 -10.85 9.48 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.09 20.16 61.4 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 117.057 1.583 . . . . 0.0 117.057 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -90.37 130.17 42.66 Favored Pre-proline 0 CA--C 1.577 1.987 0 CA-C-N 119.53 1.665 . . . . 0.0 107.073 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -53.23 137.18 63.58 Favored 'Trans proline' 0 N--CA 1.528 3.553 0 C-N-CA 124.48 3.453 . . . . 0.0 111.077 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -87.07 15.2 2.23 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 CA-C-N 120.895 1.356 . . . . 0.0 110.429 -170.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -106.79 -23.61 12.34 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 125.823 1.649 . . . . 0.0 111.055 168.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -77.93 -37.24 48.14 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.86 -0.525 . . . . 0.0 109.822 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -48.55 133.01 17.06 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 118.548 2.795 . . . . 0.0 118.548 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -131.24 113.44 13.84 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 118.513 -2.617 . . . . 0.0 107.034 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -99.02 132.39 44.36 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-O 121.985 0.898 . . . . 0.0 111.572 -172.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mt -122.69 136.35 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.375 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -129.94 109.44 10.89 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.094 -2.321 . . . . 0.0 110.159 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.75 35.59 22.15 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.16 -8.59 30.71 Favored Glycine 0 C--N 1.376 2.78 0 N-CA-C 120.765 3.066 . . . . 0.0 120.765 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -78.03 124.91 28.59 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.333 1.453 . . . . 0.0 112.98 171.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -71.13 113.3 8.03 Favored 'General case' 0 C--O 1.26 1.639 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.06 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -79.67 116.45 19.87 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-O 122.204 1.002 . . . . 0.0 112.535 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -71.96 135.11 46.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.294 -1.504 . . . . 0.0 114.739 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.84 -44.93 82.6 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 -167.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.21 12.75 42.89 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-N 120.513 1.506 . . . . 0.0 112.417 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -89.43 147.26 24.12 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.975 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -88.56 171.4 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 125.646 1.841 . . . . 0.0 111.379 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -79.76 -21.28 44.62 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 115.719 -2.086 . . . . 0.0 109.529 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -55.73 -48.03 75.9 Favored 'General case' 0 C--N 1.376 1.744 0 O-C-N 125.383 1.677 . . . . 0.0 112.411 164.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -56.84 -41.62 78.21 Favored 'General case' 0 N--CA 1.513 2.701 0 C-N-CA 126.939 2.096 . . . . 0.0 114.776 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -79.54 -12.35 59.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 167.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.259 23.3 t-20 54.78 58.85 4.48 Favored 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 125.522 1.764 . . . . 0.0 114.024 -173.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -95.89 119.17 43.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -74.87 160.76 30.24 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 124.863 1.352 . . . . 0.0 110.781 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 148.84 10.24 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 0.0 113.539 167.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.346 62.7 mt-10 68.88 3.43 3.98 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 122.052 2.206 . . . . 0.0 116.401 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -63.42 155.49 28.86 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 125.082 1.488 . . . . 0.0 114.539 163.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.6 m -123.78 113.41 18.53 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.021 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.511 ' HB2' HG22 ' A' ' 5' ' ' VAL . 78.1 mt -85.55 150.42 24.68 Favored 'General case' 0 N--CA 1.42 -1.931 0 O-C-N 121.284 -0.885 . . . . 0.0 108.636 171.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -104.15 149.3 25.37 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.384 -1.447 . . . . 0.0 107.782 172.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.69 128.52 46.82 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 124.839 1.337 . . . . 0.0 110.846 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--N 1.374 1.647 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 173.625 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.548 4.429 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -95.31 136.15 36.02 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.1 pt -126.78 158.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -124.74 136.14 53.61 Favored 'General case' 0 C--O 1.198 -1.626 0 CA-C-O 117.685 -1.15 . . . . 0.0 108.303 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.8 t -125.55 133.43 69.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -91.07 119.77 31.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.734 1.254 . . . . 0.0 112.11 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.4 p -101.02 176.25 5.33 Favored 'General case' 0 C--N 1.373 1.603 0 CA-C-N 113.92 -1.491 . . . . 0.0 111.883 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -50.68 -36.22 34.73 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 119.122 3.008 . . . . 0.0 119.122 -160.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.3 p -81.47 -8.33 59.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 116.202 -1.856 . . . . 0.0 115.365 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.3 41.97 Favored Glycine 0 N--CA 1.494 2.551 0 CA-C-N 121.496 1.953 . . . . 0.0 113.216 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -58.39 163.53 3.02 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-O 122.808 1.29 . . . . 0.0 113.988 168.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -109.21 129.04 55.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 119.024 -2.297 . . . . 0.0 110.147 171.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.7 mm -101.25 127.25 54.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-O 122.593 1.187 . . . . 0.0 112.111 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -95.59 135.32 37.41 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 120.214 -1.553 . . . . 0.0 111.191 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.7 mt -131.43 126.27 34.66 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.101 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -85.68 118.66 25.32 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.21 -2.181 . . . . 0.0 112.871 169.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.2 m -137.8 165.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.773 0 CA-C-N 111.459 -2.61 . . . . 0.0 113.128 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.03 156.67 44.97 Favored Pre-proline 0 N--CA 1.494 1.755 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.54 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -66.28 -15.04 46.82 Favored 'Trans proline' 0 N--CA 1.507 2.272 0 CA-C-N 121.501 1.572 . . . . 0.0 113.27 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -99.1 10.78 40.76 Favored 'General case' 0 N--CA 1.409 -2.475 0 O-C-N 126.589 2.431 . . . . 0.0 113.292 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -90.1 117.98 29.29 Favored 'General case' 0 C--N 1.376 1.726 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.8 p -63.74 151.24 42.61 Favored 'General case' 0 C--O 1.191 -1.989 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.73 -23.21 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 CA-C-O 123.162 1.458 . . . . 0.0 113.638 173.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.83 -43.73 73.27 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 119.185 -2.197 . . . . 0.0 116.645 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -71.03 -35.67 72.07 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-O 116.164 -1.874 . . . . 0.0 110.823 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.0 t -58.09 -46.46 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 125.101 1.501 . . . . 0.0 109.737 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -66.09 -42.78 88.85 Favored 'General case' 1 N--CA 1.551 4.609 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 169.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.34 47.1 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.283 -0.885 . . . . 0.0 111.238 166.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -65.1 -42.44 94.02 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.78 -26.47 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 CA-C-N 119.727 1.149 . . . . 0.0 111.665 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.52 82.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.858 -1.151 . . . . 0.0 112.363 169.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -64.06 -52.73 57.99 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 118.619 -1.233 . . . . 0.0 113.93 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -66.87 -49.19 66.45 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -172.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -117.35 -21.53 8.66 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 120.848 1.658 . . . . 0.0 108.183 -167.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.28 3.04 31.31 Favored Glycine 0 C--N 1.377 2.85 0 O-C-N 119.664 -1.898 . . . . 0.0 114.349 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mm -68.98 127.44 93.11 Favored Pre-proline 0 CA--C 1.552 1.029 0 CA-C-O 116.719 -1.61 . . . . 0.0 112.515 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -52.39 138.61 56.24 Favored 'Trans proline' 0 CA--C 1.571 2.351 0 CA-C-N 120.539 1.228 . . . . 0.0 114.31 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.427 35.4 Cg_exo -49.1 -42.63 38.68 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-O 113.078 -2.967 . . . . 0.0 117.75 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -79.42 -15.66 57.46 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.375 1.898 . . . . 0.0 112.738 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -91.28 18.21 7.35 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.272 0.942 . . . . 0.0 113.184 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -99.47 121.24 40.87 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 120.469 -1.395 . . . . 0.0 110.453 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' HB2' HG23 ' A' ' 70' ' ' VAL . 12.5 mmm180 -125.2 116.03 21.36 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 169.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.47 125.16 51.57 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -165.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.46 HD11 HG22 ' A' ' 70' ' ' VAL . 3.9 mp -111.58 145.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 109.972 -176.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.99 114.24 9.57 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 162.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.57 58.51 3.82 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -1.94 64.24 Favored Glycine 0 N--CA 1.493 2.469 0 CA-C-N 114.468 -1.242 . . . . 0.0 113.906 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -106.83 110.53 22.71 Favored 'General case' 0 C--N 1.383 2.041 0 CA-C-N 118.717 1.258 . . . . 0.0 109.057 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -63.21 122.35 15.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 166.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 59' ' ' TYR . 47.4 mt -91.79 123.13 34.94 Favored 'General case' 0 N--CA 1.518 2.97 0 O-C-N 124.371 1.045 . . . . 0.0 109.712 -168.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.255 17.4 mt-10 -92.25 142.61 27.29 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -167.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.64 -40.15 74.92 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -161.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 -7.04 88.5 Favored Glycine 0 N--CA 1.482 1.76 0 O-C-N 119.63 -1.918 . . . . 0.0 113.994 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -80.33 152.72 28.81 Favored 'General case' 0 CA--C 1.563 1.443 0 O-C-N 125.201 1.177 . . . . 0.0 113.839 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -93.66 173.7 7.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 123.718 1.723 . . . . 0.0 115.2 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -72.79 -24.5 60.93 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.979 -1.7 . . . . 0.0 112.126 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -80.02 -16.13 55.77 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.602 172.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.05 -21.99 60.69 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 120.549 1.522 . . . . 0.0 111.211 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.443 ' CD1' HD22 ' A' ' 50' ' ' LEU . 70.4 m-85 -111.79 16.17 20.58 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 117.019 -1.467 . . . . 0.0 108.133 174.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m120 43.34 48.31 5.86 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 126.048 1.739 . . . . 0.0 114.238 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.259 19.3 mt -78.82 126.51 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 O-C-N 119.763 -1.835 . . . . 0.0 110.161 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -88.62 166.86 13.83 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 119.291 -2.13 . . . . 0.0 111.323 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -53.73 145.52 15.5 Favored 'General case' 0 N--CA 1.523 3.196 0 O-C-N 119.539 -1.976 . . . . 0.0 115.306 170.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 66.4 11.61 8.12 Favored 'General case' 0 C--N 1.389 2.283 0 CA-C-O 117.277 -1.344 . . . . 0.0 113.686 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -71.27 162.46 29.4 Favored 'General case' 0 N--CA 1.539 3.986 0 C-N-CA 127.568 2.347 . . . . 0.0 107.494 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -119.06 126.86 52.68 Favored 'General case' 0 C--O 1.196 -1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 111.317 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.7 mp -100.86 159.93 14.79 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 113.057 -1.883 . . . . 0.0 109.217 173.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -123.58 126.43 46.64 Favored 'General case' 0 C--N 1.385 2.152 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.11 138.19 31.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 121.195 0.521 . . . . 0.0 110.42 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.46 HG22 HD11 ' A' ' 44' ' ' ILE . 23.7 m . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 156.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.641 0 CA-C-O 117.709 -1.138 . . . . 0.0 113.992 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -101.71 136.82 40.91 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-O 116.81 -1.567 . . . . 0.0 108.778 -170.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.88 171.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' HB2' ' HA ' ' A' ' 66' ' ' THR . 20.4 m-85 -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 120.65 -1.281 . . . . 0.0 109.818 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.48 118.75 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 CA-C-O 123.602 1.668 . . . . 0.0 110.438 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -110.84 119.58 39.55 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 111.385 -2.643 . . . . 0.0 113.518 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.0 p -76.99 166.97 22.61 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.6 17.12 4.86 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.928 0.871 . . . . 0.0 112.099 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -125.41 22.56 7.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 112.317 -2.22 . . . . 0.0 111.738 170.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.83 77.43 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 119.117 2.407 . . . . 0.0 119.117 164.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -107.55 116.74 32.48 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.909 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -98.79 120.0 38.49 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 127.679 3.112 . . . . 0.0 107.419 170.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.79 141.32 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.08 0 CA-C-N 111.828 -2.442 . . . . 0.0 110.393 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -94.88 126.58 40.31 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 125.653 1.846 . . . . 0.0 112.261 164.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.45 141.48 52.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -171.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -103.24 112.18 24.93 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.16 151.36 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -97.09 145.73 30.11 Favored Pre-proline 0 C--O 1.199 -1.57 0 CA-C-O 112.898 -3.429 . . . . 0.0 105.689 165.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.47 -4.64 15.73 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 CA-C-N 124.364 2.594 . . . . 0.0 117.577 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -97.11 -5.06 38.23 Favored 'General case' 0 C--O 1.186 -2.28 0 CA-C-N 122.457 2.389 . . . . 0.0 109.818 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.1 141.68 58.68 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 127.101 3.334 . . . . 0.0 111.989 166.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.4 p -71.74 151.46 43.55 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 117.483 -3.261 . . . . 0.0 109.191 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.75 -32.69 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 123.828 3.013 . . . . 0.0 113.688 174.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.38 -33.36 75.55 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.813 2.551 . . . . 0.0 117.585 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 19.6 t-20 -55.49 -42.86 75.0 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 126.093 2.121 . . . . 0.0 110.184 159.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.296 56.5 t -63.51 -39.95 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 124.323 3.238 . . . . 0.0 115.089 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 30' ' ' ILE . 30.1 mtmt -57.91 -37.33 73.84 Favored 'General case' 0 CA--C 1.585 2.32 0 CA-C-O 122.789 1.28 . . . . 0.0 111.215 168.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -60.25 -39.55 87.14 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 174.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -67.12 -36.74 82.56 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 165.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 27' ' ' LYS . 59.9 mt -61.38 -35.65 67.88 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 O-C-N 124.668 1.23 . . . . 0.0 113.528 171.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.25 -38.61 80.49 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 174.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.55 -21.55 66.41 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 171.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -100.32 -47.28 4.98 Favored 'General case' 0 N--CA 1.518 2.968 0 O-C-N 120.897 -1.127 . . . . 0.0 110.648 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -116.9 -8.02 11.35 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 115.313 -2.28 . . . . 0.0 110.668 -170.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.32 19.69 73.76 Favored Glycine 0 C--N 1.376 2.762 0 N-CA-C 120.861 3.104 . . . . 0.0 120.861 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mm -108.57 130.07 23.21 Favored Pre-proline 0 C--O 1.202 -1.413 0 CA-C-O 116.373 -1.775 . . . . 0.0 111.596 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -54.4 142.37 69.79 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.438 2.092 . . . . 0.0 111.304 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -45.2 4.95 Favored 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 126.904 5.069 . . . . 0.0 115.83 169.415 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -65.63 -14.36 61.02 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -101.67 0.08 35.51 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -108.04 144.48 35.32 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -146.99 131.23 17.44 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.167 169.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.22 148.29 24.43 Favored 'General case' 0 N--CA 1.419 -2.013 0 C-N-CA 125.63 1.572 . . . . 0.0 111.43 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -125.0 131.12 72.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.311 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -139.27 133.61 31.5 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.286 . . 42.62 44.71 3.76 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.17 25.98 67.4 Favored Glycine 0 N--CA 1.472 1.035 0 O-C-N 125.553 1.783 . . . . 0.0 113.043 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.361 23.0 pttm -156.83 155.57 31.73 Favored 'General case' 0 N--CA 1.534 3.729 0 O-C-N 119.571 -2.135 . . . . 0.0 110.794 168.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -46.45 137.73 6.33 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 128.342 2.657 . . . . 0.0 115.864 171.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.7 mt -85.79 124.96 32.88 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 167.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.81 103.03 4.21 Favored 'General case' 0 C--N 1.397 2.656 0 O-C-N 120.328 -1.482 . . . . 0.0 111.056 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -15.05 -65.47 0.01 OUTLIER 'General case' 0 C--O 1.256 1.424 0 C-N-CA 127.984 2.514 . . . . 0.0 116.627 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.65 -23.12 70.4 Favored Glycine 0 CA--C 1.546 1.972 0 N-CA-C 117.851 1.9 . . . . 0.0 117.851 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -68.8 163.14 24.83 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.85 -1.97 . . . . 0.0 113.531 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.6 p -96.23 159.15 15.1 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.07 1.891 . . . . 0.0 115.462 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.45 -34.87 73.06 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 119.715 -1.866 . . . . 0.0 111.643 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.7 t -61.25 -40.51 94.32 Favored 'General case' 0 N--CA 1.51 2.557 0 C-N-CA 126.699 1.999 . . . . 0.0 106.215 167.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -64.04 -36.05 82.71 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 121.434 1.924 . . . . 0.0 113.416 -175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.95 5.91 50.18 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 40.45 53.54 2.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 -166.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.1 mt -84.55 109.92 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.275 1.43 . . . . 0.0 111.932 -175.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -94.28 166.66 11.99 Favored 'General case' 0 C--N 1.379 1.877 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -168.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -44.01 131.36 5.81 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 173.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 68.87 21.29 7.66 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.493 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.5 m -71.6 137.34 47.9 Favored 'General case' 0 C--N 1.38 1.901 0 O-C-N 120.561 -1.337 . . . . 0.0 110.431 161.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.466 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 57.0 m -101.92 112.57 25.24 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 -176.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.99 123.67 48.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.64 1.213 . . . . 0.0 110.181 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -71.85 136.38 46.96 Favored 'General case' 0 C--N 1.362 1.15 0 O-C-N 120.036 -1.665 . . . . 0.0 107.734 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -112.37 127.2 55.94 Favored 'General case' 0 N--CA 1.518 2.927 0 O-C-N 127.219 2.824 . . . . 0.0 107.024 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.42 -1.967 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -177.566 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 121.843 0.83 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -89.74 149.89 22.54 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 172.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.293 2.2 pp -141.23 154.07 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.076 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.788 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -111.25 136.72 49.92 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.512 -1.367 . . . . 0.0 111.57 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.43 134.56 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -97.97 114.65 26.83 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 112.503 -2.135 . . . . 0.0 107.92 170.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 44.8 p -75.07 163.81 27.19 Favored 'General case' 0 CA--C 1.589 2.465 0 O-C-N 117.061 -3.524 . . . . 0.0 114.617 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.86 -30.3 68.88 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 124.907 1.283 . . . . 0.0 113.319 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 m -68.72 -32.53 72.39 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-O 118.348 -0.834 . . . . 0.0 112.058 173.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.3 30.01 4.59 Favored Glycine 0 CA--C 1.543 1.825 0 O-C-N 125.728 1.893 . . . . 0.0 113.454 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -96.09 143.38 27.28 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-O 121.363 0.601 . . . . 0.0 109.384 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -102.19 121.61 42.58 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 121.195 -0.941 . . . . 0.0 108.506 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.7 mm -101.39 139.14 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -107.9 128.97 55.09 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mp -129.14 132.62 47.37 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.594 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -89.15 116.15 27.2 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-O 123.988 1.851 . . . . 0.0 112.535 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -143.28 162.82 16.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.742 0 CA-C-O 122.691 1.234 . . . . 0.0 109.702 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -95.76 156.13 37.68 Favored Pre-proline 0 C--O 1.205 -1.247 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.345 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.307 41.0 Cg_endo -60.64 -13.96 28.72 Favored 'Trans proline' 0 C--N 1.291 -2.463 0 CA-C-O 116.98 -1.342 . . . . 0.0 115.125 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -102.64 -0.26 32.15 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 122.981 2.628 . . . . 0.0 106.562 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -73.46 147.28 44.3 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 121.808 2.094 . . . . 0.0 109.85 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 59.3 p -88.28 165.66 14.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 120.212 1.369 . . . . 0.0 112.988 -176.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -60.22 -38.38 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.813 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.36 -50.12 63.01 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.231 -0.918 . . . . 0.0 111.56 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -64.53 -34.41 78.17 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 119.938 -1.727 . . . . 0.0 113.384 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.6 t -57.4 -51.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.746 0 CA-C-O 121.854 0.835 . . . . 0.0 109.571 170.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.46 -32.23 66.74 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 117.753 -3.092 . . . . 0.0 116.296 168.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.82 95.78 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.174 -1.811 . . . . 0.0 114.725 166.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -58.83 -43.5 90.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 118.923 0.783 . . . . 0.0 111.66 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mm -61.98 -36.83 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.038 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HA ' ' H ' ' A' ' 36' ' ' ILE . 32.2 tp60 -63.4 -48.81 76.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 125.384 1.677 . . . . 0.0 111.836 174.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -61.87 -43.65 98.41 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -88.49 -32.14 18.38 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 116.499 -1.715 . . . . 0.0 111.247 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -113.31 -4.93 13.61 Favored 'General case' 0 C--N 1.374 1.659 0 CA-C-O 115.073 -2.394 . . . . 0.0 115.059 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.23 58.15 13.83 Favored Glycine 0 C--O 1.192 -2.524 0 O-C-N 125.776 1.922 . . . . 0.0 110.786 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.454 ' H ' ' HA ' ' A' ' 31' ' ' GLN . 9.8 mt -128.45 112.78 19.49 Favored Pre-proline 0 CA--C 1.587 2.393 0 CA-C-N 118.236 1.018 . . . . 0.0 110.12 -172.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -35.01 117.59 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.679 0 C-N-CA 124.272 3.315 . . . . 0.0 116.307 174.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 9.8 Cg_endo -65.87 -27.99 50.98 Favored 'Trans proline' 0 CA--C 1.493 -1.537 0 O-C-N 122.804 0.897 . . . . 0.0 111.22 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.33 -23.14 57.23 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.899 -1.125 . . . . 0.0 111.048 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -91.21 -13.41 32.89 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -69.0 125.73 27.57 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.751 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -112.34 113.08 25.11 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 125.042 1.464 . . . . 0.0 111.835 162.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' A' ' 69' ' ' LEU . 50.8 mt -92.79 130.17 38.49 Favored 'General case' 0 C--O 1.25 1.111 0 CA-C-O 122.737 1.256 . . . . 0.0 109.332 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' C ' ' A' ' 43' ' ' LEU . 3.9 mm -118.55 128.89 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.176 -176.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -133.26 114.69 14.07 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.4 29.27 8.54 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -168.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.34 8.18 81.6 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-O 117.762 -1.577 . . . . 0.0 115.566 176.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -121.22 128.57 52.55 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.32 -3.585 . . . . 0.0 101.32 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.69 146.35 54.9 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.364 1.665 . . . . 0.0 111.365 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -112.41 149.12 32.98 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 125.065 1.478 . . . . 0.0 112.071 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -92.24 145.14 24.72 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 123.951 1.834 . . . . 0.0 115.583 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.91 -35.58 75.18 Favored 'General case' 0 C--N 1.372 1.575 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.36 -15.99 79.0 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.253 1.6 mpp_? -86.23 165.16 16.71 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 14.2 p -110.77 167.82 9.94 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.006 -1.906 . . . . 0.0 109.89 -176.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.16 -35.61 79.34 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 111.796 -2.456 . . . . 0.0 111.627 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 m -72.29 -26.93 62.16 Favored 'General case' 0 C--N 1.367 1.369 0 CA-C-O 114.406 -2.711 . . . . 0.0 110.241 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.17 -17.93 65.03 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-N 123.211 2.732 . . . . 0.0 112.636 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -112.11 11.91 20.46 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 116.728 -1.606 . . . . 0.0 113.28 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.6 m120 53.32 59.44 4.39 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 127.551 3.032 . . . . 0.0 114.134 -169.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -92.3 118.49 37.96 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.445 0 O-C-N 120.135 -1.603 . . . . 0.0 110.838 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -83.96 170.92 13.49 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 125.227 1.579 . . . . 0.0 112.135 171.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.712 3.149 . . . . 0.0 111.408 170.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 44.8 mt-10 81.77 14.75 0.53 Allowed 'General case' 0 C--O 1.259 1.597 0 C-N-CA 130.538 3.535 . . . . 0.0 108.587 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -68.07 142.53 55.81 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 117.554 -1.658 . . . . 0.0 111.065 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 m -98.28 117.8 33.49 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 113.58 -1.645 . . . . 0.0 114.889 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.67 166.35 11.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -129.75 144.75 51.45 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 124.843 1.257 . . . . 0.0 109.485 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 52.2 tp -123.34 134.83 53.98 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.776 1.751 . . . . 0.0 108.901 -171.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.427 -1.587 0 N-CA-C 101.754 -3.425 . . . . 0.0 101.754 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.198 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -93.93 137.23 33.38 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.742 0.782 . . . . 0.0 109.095 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.66 162.26 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 122.61 1.195 . . . . 0.0 108.105 166.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -107.63 145.09 33.78 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.381 -1.449 . . . . 0.0 110.083 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -123.23 112.7 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.894 0 O-C-N 120.828 -1.17 . . . . 0.0 109.686 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.94 124.94 34.71 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -80.21 166.68 21.18 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.93 -35.5 78.53 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 115.598 -2.144 . . . . 0.0 112.793 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -67.95 -32.01 72.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.101 2.16 . . . . 0.0 112.339 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.56 8.81 6.17 Favored Glycine 0 CA--C 1.502 -0.738 0 O-C-N 121.06 -1.025 . . . . 0.0 113.07 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -82.88 164.15 20.68 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.7 m -115.78 131.13 57.03 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mm -111.38 132.42 59.97 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-N 121.782 2.083 . . . . 0.0 108.717 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -100.55 134.85 42.9 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -150.8 157.58 43.11 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -93.57 134.06 36.24 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.156 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 164.91 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 CA-C-N 120.367 1.439 . . . . 0.0 111.136 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.63 166.98 12.19 Favored Pre-proline 0 CA--C 1.568 1.671 0 O-C-N 125.925 2.016 . . . . 0.0 106.969 171.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -67.38 -31.12 35.46 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 117.719 -1.054 . . . . 0.0 110.36 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 p -85.92 -0.7 56.1 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -73.06 148.95 43.57 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-O 125.079 2.371 . . . . 0.0 111.28 165.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 p -100.11 165.8 11.33 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 112.657 -2.065 . . . . 0.0 109.815 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.01 -32.7 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.224 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -50.35 -39.55 46.57 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 115.038 -2.41 . . . . 0.0 114.146 162.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -69.71 -32.04 70.41 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 123.71 2.959 . . . . 0.0 111.251 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.79 -46.25 94.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.68 -43.39 89.92 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.42 86.3 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.082 0.855 . . . . 0.0 113.01 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -64.08 -37.37 87.19 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.12 -36.55 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 119.578 -1.951 . . . . 0.0 111.67 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -46.96 -54.99 8.89 Favored 'General case' 0 C--N 1.394 2.513 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 167.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.258 30.3 m-20 -58.08 -51.16 70.85 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -62.37 -44.06 97.35 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 126.57 1.948 . . . . 0.0 115.122 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -120.6 -5.89 9.73 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 121.488 1.949 . . . . 0.0 112.786 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.63 52.36 30.43 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-O 117.006 -1.997 . . . . 0.0 116.918 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.33 114.34 31.88 Favored Pre-proline 0 CA--C 1.562 1.421 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -59.9 141.08 95.87 Favored 'Trans proline' 0 N--CA 1.508 2.34 0 N-CA-C 117.092 1.92 . . . . 0.0 117.092 -168.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -70.73 -21.4 29.03 Favored 'Trans proline' 0 C--N 1.296 -2.213 0 N-CA-C 117.732 2.166 . . . . 0.0 117.732 -170.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -77.77 -17.36 57.6 Favored 'General case' 0 C--O 1.264 1.844 0 CA-C-N 120.285 1.402 . . . . 0.0 112.047 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.86 -18.58 37.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.554 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -89.62 149.53 22.78 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 123.002 1.382 . . . . 0.0 111.66 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -148.74 142.87 25.99 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 167.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.274 62.1 mt -112.43 154.3 26.04 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 125.521 2.582 . . . . 0.0 112.982 -174.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -139.72 139.53 37.82 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 109.85 -3.341 . . . . 0.0 104.766 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -132.41 115.48 15.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 119.715 -1.865 . . . . 0.0 107.433 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.307 . . 65.37 33.6 8.85 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 120.865 3.654 . . . . 0.0 120.865 162.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.03 -6.58 37.21 Favored Glycine 0 C--N 1.362 1.989 0 CA-C-O 117.929 -1.484 . . . . 0.0 114.946 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.47 146.32 30.51 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.936 2.868 . . . . 0.0 113.996 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.39 154.47 41.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 119.565 -1.96 . . . . 0.0 112.635 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -121.09 132.68 55.02 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.607 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -74.79 144.48 43.51 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.057 1.343 . . . . 0.0 110.255 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -58.71 -40.72 84.5 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 -18.58 77.95 Favored Glycine 0 C--N 1.359 1.809 0 N-CA-C 118.525 2.17 . . . . 0.0 118.525 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -70.08 152.23 44.6 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.654 1.582 . . . . 0.0 114.053 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -95.39 166.45 11.87 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.54 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.79 -28.69 70.04 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.631 2.157 . . . . 0.0 115.429 173.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -75.75 -31.33 59.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.086 -1.416 . . . . 0.0 113.663 173.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 116.222 -1.847 . . . . 0.0 114.641 165.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -67.26 -27.43 67.2 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.786 167.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.257 35.4 m120 67.7 49.98 0.92 Allowed 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.692 1.133 . . . . 0.0 110.867 -167.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -89.5 113.62 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.187 0 CA-C-O 125.112 2.387 . . . . 0.0 112.208 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -64.65 155.8 32.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 111.577 -2.556 . . . . 0.0 113.384 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.97 155.8 5.92 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 172.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 39.7 mt-10 59.97 32.0 20.92 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.3 m -108.78 140.48 42.15 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 119.592 -1.942 . . . . 0.0 110.981 -163.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 84.7 m -95.77 108.78 21.14 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.759 -1.213 . . . . 0.0 113.433 -168.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.3 167.3 12.4 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.185 1.794 . . . . 0.0 106.477 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -123.04 157.46 32.73 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.849 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.3 tp -118.78 139.89 50.84 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 112.51 -2.132 . . . . 0.0 106.908 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.552 1.048 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 161.722 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 117.245 -1.36 . . . . 0.0 112.697 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -74.01 138.59 44.2 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 121.132 1.787 . . . . 0.0 111.17 171.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.71 172.68 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 165.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -124.02 143.6 50.33 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.3 t -134.58 121.77 36.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 O-C-N 119.807 -1.808 . . . . 0.0 107.539 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -73.15 125.93 28.86 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 p -86.21 -170.09 2.94 Favored 'General case' 0 N--CA 1.517 2.883 0 O-C-N 121.467 -0.771 . . . . 0.0 112.1 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.75 23.61 12.9 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-N 120.326 1.421 . . . . 0.0 113.475 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -115.84 4.77 13.97 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.47 1.508 . . . . 0.0 111.344 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.11 23.94 18.42 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -116.44 143.35 45.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.015 1.726 . . . . 0.0 115.107 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -106.92 111.11 23.46 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 168.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.73 142.66 13.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.0 m -108.25 124.69 50.7 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 123.41 2.823 . . . . 0.0 107.155 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.24 144.74 47.6 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 115.896 -2.002 . . . . 0.0 111.633 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.16 124.37 40.14 Favored 'General case' 0 N--CA 1.42 -1.925 0 O-C-N 127.135 2.772 . . . . 0.0 108.039 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.17 164.53 27.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -96.3 158.43 33.93 Favored Pre-proline 0 CA--C 1.573 1.858 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 164.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -67.92 -27.92 36.32 Favored 'Trans proline' 0 C--N 1.288 -2.645 0 CA-C-O 116.299 -1.626 . . . . 0.0 113.618 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 p -85.28 16.55 3.56 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.647 2.021 . . . . 0.0 115.467 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.25 143.58 45.03 Favored 'General case' 0 CA--C 1.573 1.829 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 167.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 55' ' ' THR 0.265 77.5 p -76.65 163.58 26.72 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 120.914 -1.117 . . . . 0.0 112.52 171.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.98 -40.09 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 O-C-N 124.326 1.016 . . . . 0.0 112.633 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -37.74 -45.88 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 160.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -70.03 -21.61 63.17 Favored 'General case' 0 CA--C 1.457 -2.599 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.47 -45.72 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 CA-C-N 118.025 0.375 . . . . 0.0 110.735 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -59.04 -37.77 77.75 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.58 76.34 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 124.392 1.077 . . . . 0.0 113.405 173.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -69.04 -39.42 79.2 Favored 'General case' 0 C--O 1.194 -1.866 0 C-N-CA 117.821 -1.552 . . . . 0.0 109.925 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.43 -38.25 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 119.331 -2.106 . . . . 0.0 116.676 170.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -56.53 -47.81 78.6 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 121.281 1.855 . . . . 0.0 112.857 164.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.05 -44.07 97.94 Favored 'General case' 0 CA--C 1.576 1.953 0 C-N-CA 117.678 -1.609 . . . . 0.0 111.798 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -81.35 -34.6 31.67 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-O 114.572 -2.632 . . . . 0.0 117.773 -171.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -127.18 -4.32 6.2 Favored 'General case' 0 N--CA 1.527 3.416 0 CA-C-N 122.449 2.386 . . . . 0.0 110.396 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.71 8.8 82.29 Favored Glycine 0 N--CA 1.483 1.775 0 C-N-CA 123.626 0.631 . . . . 0.0 114.272 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.1 mt -83.94 126.13 71.16 Favored Pre-proline 0 N--CA 1.41 -2.465 0 CA-C-O 123.357 1.551 . . . . 0.0 108.637 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.66 142.1 62.17 Favored 'Trans proline' 0 C--N 1.262 -3.978 0 O-C-N 116.534 -2.403 . . . . 0.0 117.965 174.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.97 -27.42 58.26 Favored 'Trans proline' 0 N--CA 1.526 3.43 0 C-N-CA 123.158 2.572 . . . . 0.0 111.391 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -85.13 -22.14 28.97 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -90.7 5.28 48.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 124.926 1.391 . . . . 0.0 111.407 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -133.34 158.32 43.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 118.841 -2.412 . . . . 0.0 108.628 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -132.4 146.64 52.1 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 127.145 2.778 . . . . 0.0 109.035 170.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 mt -109.04 137.39 47.02 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 118.535 -2.603 . . . . 0.0 110.427 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 22.5 mm -121.23 150.61 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 N-CA-C 103.854 -2.646 . . . . 0.0 103.854 -169.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -141.39 136.26 31.24 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 104.33 -2.47 . . . . 0.0 104.33 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.86 1.21 Allowed 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.152 -1.592 . . . . 0.0 114.704 173.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 -4.45 65.34 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-O 116.604 -2.22 . . . . 0.0 116.062 -167.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -115.61 146.92 41.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -165.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -109.78 130.44 55.52 Favored 'General case' 0 CA--C 1.5 -0.95 0 O-C-N 119.953 -1.717 . . . . 0.0 106.798 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD22 ' CG ' ' A' ' 59' ' ' TYR . 26.0 mt -95.69 139.56 31.76 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 123.699 1.714 . . . . 0.0 113.792 -172.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -72.29 128.53 35.94 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.179 0.99 . . . . 0.0 113.179 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.75 -45.91 70.72 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 110.259 -3.155 . . . . 0.0 119.01 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -1.79 80.49 Favored Glycine 0 N--CA 1.483 1.784 0 CA-C-O 117.923 -1.487 . . . . 0.0 114.444 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -88.55 -179.92 6.15 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 118.402 1.101 . . . . 0.0 109.079 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 45.6 p -114.04 161.39 17.78 Favored 'General case' 0 CA--C 1.467 -2.246 0 C-N-CA 117.557 -1.657 . . . . 0.0 108.822 -171.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.56 -36.65 81.23 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 112.468 -2.151 . . . . 0.0 109.472 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -60.23 -43.12 96.3 Favored 'General case' 0 C--O 1.27 2.136 0 O-C-N 125.566 1.791 . . . . 0.0 109.317 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.82 -37.17 86.72 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 118.458 -2.651 . . . . 0.0 113.468 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CG ' HD22 ' A' ' 50' ' ' LEU . 45.1 m-85 -91.91 8.24 38.32 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 118.499 -2.626 . . . . 0.0 110.061 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 64.42 32.74 11.72 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 124.633 1.173 . . . . 0.0 110.604 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm -76.88 114.44 17.25 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 CA-C-O 124.019 1.866 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.58 161.61 13.58 Favored 'General case' 0 CA--C 1.557 1.231 0 O-C-N 118.571 -2.581 . . . . 0.0 110.164 -175.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -25.63 125.35 0.05 Allowed 'General case' 0 C--N 1.4 2.787 0 C-N-CA 126.845 2.058 . . . . 0.0 115.239 164.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.378 88.9 mt-10 72.97 21.85 3.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.932 2.093 . . . . 0.0 112.941 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.9 m -73.81 148.4 42.5 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-O 117.461 -1.257 . . . . 0.0 108.69 173.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.0 m -102.47 118.59 37.18 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 127.04 2.712 . . . . 0.0 106.959 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.8 mt -105.67 162.69 13.3 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -133.83 155.26 50.15 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tt -101.06 146.78 27.0 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 126.845 2.591 . . . . 0.0 108.172 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.198 -1.623 0 CA-C-O 116.245 -1.836 . . . . 0.0 110.351 167.124 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.728 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.482 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -101.55 138.0 39.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.699 0.681 . . . . 0.0 112.232 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -123.03 171.95 11.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 165.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.01 151.95 35.68 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.35 136.62 59.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 122.573 1.178 . . . . 0.0 109.006 165.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -94.3 125.57 39.03 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 114.111 -1.404 . . . . 0.0 110.709 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -92.66 169.57 10.4 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 119.784 1.175 . . . . 0.0 109.711 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.0 mt -61.83 -39.95 93.59 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 125.193 1.397 . . . . 0.0 110.865 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -69.75 -8.66 49.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.053 -1.885 . . . . 0.0 112.977 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.14 27.21 37.78 Favored Glycine 0 CA--C 1.558 2.731 0 CA-C-O 117.68 -1.622 . . . . 0.0 115.988 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -97.24 132.78 42.66 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 119.13 1.465 . . . . 0.0 109.278 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -91.73 110.32 21.66 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.423 1.106 . . . . 0.0 108.146 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.8 pt -109.26 150.27 12.03 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.557 -173.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 m -120.27 121.88 39.65 Favored 'General case' 0 C--N 1.385 2.11 0 CA-C-O 122.504 1.145 . . . . 0.0 111.366 -167.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 mt -119.3 129.76 55.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.634 -2.075 . . . . 0.0 105.469 -163.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -108.72 127.46 54.01 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -153.93 165.06 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 124.202 1.001 . . . . 0.0 109.176 -161.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -113.79 152.57 45.69 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 102.462 -3.162 . . . . 0.0 102.462 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -81.61 -1.03 10.77 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 CA-C-N 120.689 1.282 . . . . 0.0 113.416 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -16.74 28.84 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.098 -1.001 . . . . 0.0 110.162 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -55.5 139.88 42.32 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.521 0.329 . . . . 0.0 111.498 174.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 41.3 p -77.8 162.44 26.9 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 121.383 -0.823 . . . . 0.0 111.528 173.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.98 -36.71 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.63 -36.09 71.36 Favored 'General case' 0 C--O 1.269 2.129 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 168.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -69.68 -33.25 72.29 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 119.854 1.207 . . . . 0.0 109.28 170.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.287 39.5 t -62.33 -42.68 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 113.382 -1.735 . . . . 0.0 109.698 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -65.78 -29.26 69.73 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 112.798 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.9 79.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.466 1.104 . . . . 0.0 112.318 171.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -63.25 -33.07 74.71 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 119.23 -2.169 . . . . 0.0 112.565 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.92 -35.6 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.886 -0.509 . . . . 0.0 111.145 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -44.2 96.53 Favored 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 117.077 -1.439 . . . . 0.0 111.693 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -56.31 -49.69 73.57 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.424 1.465 . . . . 0.0 109.659 169.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -83.75 -38.24 21.62 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.75 10.16 8.96 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.86 68.91 Favored Glycine 0 N--CA 1.467 0.741 0 CA-C-N 114.172 -1.376 . . . . 0.0 114.462 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.1 mt -91.63 129.56 42.19 Favored Pre-proline 0 C--O 1.164 -3.407 0 CA-C-N 119.51 1.655 . . . . 0.0 109.856 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -51.08 122.29 9.73 Favored 'Trans proline' 0 N--CA 1.527 3.456 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 166.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -63.7 -35.13 59.68 Favored 'Trans proline' 1 N--CA 1.537 4.076 0 N-CA-C 117.784 2.186 . . . . 0.0 117.784 -172.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.43 -40.47 1.77 Allowed 'General case' 0 C--O 1.266 1.928 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 162.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -76.31 -14.03 60.12 Favored 'General case' 0 CA--C 1.576 1.972 0 O-C-N 117.595 -3.191 . . . . 0.0 113.266 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -85.12 123.41 30.61 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.188 1.947 . . . . 0.0 113.592 -158.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -118.29 107.86 14.41 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 118.107 -2.87 . . . . 0.0 105.936 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -95.34 119.94 34.71 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.1 mm -111.65 124.29 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.544 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -124.87 135.18 52.66 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 102.737 -3.061 . . . . 0.0 102.737 175.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.18 29.94 19.44 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 170.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.29 7.59 82.63 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 115.907 1.123 . . . . 0.0 115.907 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -148.55 140.72 24.05 Favored 'General case' 0 CA--C 1.567 1.632 0 CA-C-O 126.247 2.927 . . . . 0.0 112.934 -172.666 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.66 151.33 47.58 Favored 'General case' 0 CA--C 1.566 1.593 0 O-C-N 117.051 -3.531 . . . . 0.0 110.084 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.99 141.58 30.77 Favored 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.36 123.17 20.49 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.921 0.867 . . . . 0.0 109.753 168.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.36 -44.86 95.19 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -164.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.48 -7.65 53.7 Favored Glycine 0 N--CA 1.487 2.099 0 C-N-CA 126.691 2.091 . . . . 0.0 116.376 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -90.41 172.86 8.44 Favored 'General case' 0 N--CA 1.414 -2.252 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 63.9 p -104.67 164.53 11.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.336 1.454 . . . . 0.0 112.772 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.12 -34.98 72.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.061 1.344 . . . . 0.0 111.038 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -67.52 -33.3 74.79 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.197 -2.19 . . . . 0.0 110.596 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.82 -28.89 69.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.78 1.3 . . . . 0.0 113.72 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.22 10.16 41.97 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 119.328 -2.108 . . . . 0.0 112.038 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.4 m120 69.1 30.63 4.33 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 125.468 1.73 . . . . 0.0 113.179 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -82.97 107.61 14.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 O-C-N 120.839 -1.163 . . . . 0.0 107.915 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -115.17 166.31 11.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 124.291 1.996 . . . . 0.0 110.578 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.253 36.8 pttt -33.34 139.2 0.06 Allowed 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 112.212 -2.267 . . . . 0.0 114.257 -173.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 71.25 11.47 6.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -65.66 150.54 48.3 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.382 168.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.2 m -114.89 113.91 24.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mp -95.43 158.29 15.52 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -105.88 131.11 53.6 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.784 -1.823 . . . . 0.0 106.765 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -104.99 109.56 21.6 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 102.937 -2.986 . . . . 0.0 102.937 173.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 CA--C 1.57 1.74 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.214 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ptt? . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 113.807 -2.997 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -90.81 149.57 21.92 Favored 'General case' 0 CA--C 1.552 1.023 0 O-C-N 127.022 2.701 . . . . 0.0 114.357 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 pt -139.06 159.87 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 163.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -122.09 124.82 44.82 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 118.958 -1.097 . . . . 0.0 112.489 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.4 124.0 65.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -114.39 124.43 51.93 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 119.143 -2.223 . . . . 0.0 107.313 -174.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -67.31 162.24 23.24 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 117.214 -1.374 . . . . 0.0 112.2 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.8 -42.62 89.54 Favored 'General case' 0 C--N 1.386 2.163 0 O-C-N 126.392 2.308 . . . . 0.0 112.066 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -72.57 -30.36 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.168 -1.583 . . . . 0.0 114.759 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.57 -12.03 4.3 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 119.812 2.685 . . . . 0.0 119.812 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -57.93 146.37 32.49 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.255 1.026 . . . . 0.0 108.425 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -120.51 116.26 25.06 Favored 'General case' 0 C--O 1.2 -1.541 0 O-C-N 119.332 -2.105 . . . . 0.0 107.945 -171.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.77 121.74 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 126.016 1.726 . . . . 0.0 108.422 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -93.66 130.48 39.58 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 119.975 -1.703 . . . . 0.0 107.122 176.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -119.46 123.4 43.96 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 173.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -74.38 127.36 32.82 Favored 'General case' 0 C--O 1.254 1.318 0 O-C-N 125.295 1.622 . . . . 0.0 111.075 157.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.53 165.91 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.416 0 CA-C-N 113.692 -1.595 . . . . 0.0 109.922 -171.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -106.57 161.36 23.12 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 112.907 -1.951 . . . . 0.0 112.058 171.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -72.1 -13.91 28.76 Favored 'Trans proline' 0 N--CA 1.507 2.319 0 CA-C-N 122.637 1.977 . . . . 0.0 113.329 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -95.91 8.78 42.68 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 125.981 2.051 . . . . 0.0 110.648 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -75.66 135.24 40.45 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 120.042 -1.661 . . . . 0.0 111.82 166.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 20.7 p -82.93 163.67 20.93 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-O 127.423 3.487 . . . . 0.0 113.649 -177.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.77 -45.2 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 115.006 -2.426 . . . . 0.0 108.317 169.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.82 -40.38 41.77 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 121.011 1.732 . . . . 0.0 114.142 168.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -65.22 -45.84 83.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.905 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.578 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -57.36 -40.22 77.61 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.59 86.31 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.58 -38.56 84.99 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 126.288 2.242 . . . . 0.0 114.481 165.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.16 -40.65 87.6 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 119.904 -1.747 . . . . 0.0 111.247 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -56.42 -42.88 78.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 126.45 2.344 . . . . 0.0 111.416 170.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -63.91 -47.63 79.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 116.766 -1.588 . . . . 0.0 113.859 169.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -69.64 -51.41 35.11 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 120.775 1.625 . . . . 0.0 114.635 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -122.48 -6.36 8.71 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.113 1.324 . . . . 0.0 112.881 -164.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.93 33.41 41.49 Favored Glycine 0 C--N 1.369 2.371 0 CA-C-O 117.021 -1.989 . . . . 0.0 114.878 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -100.1 123.11 48.16 Favored Pre-proline 0 C--N 1.402 2.884 0 CA-C-N 121.167 2.484 . . . . 0.0 106.959 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -52.99 140.32 59.43 Favored 'Trans proline' 0 CA--C 1.573 2.449 0 O-C-N 124.273 1.67 . . . . 0.0 116.353 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -51.15 -38.41 60.47 Favored 'Trans proline' 0 N--CA 1.507 2.295 0 N-CA-C 118.237 2.36 . . . . 0.0 118.237 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -84.39 0.86 47.79 Favored 'General case' 0 C--N 1.309 -1.18 0 O-C-N 126.266 2.229 . . . . 0.0 110.372 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -107.19 30.14 6.48 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 121.368 -0.832 . . . . 0.0 112.005 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -135.51 152.79 51.66 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-O 124.795 2.236 . . . . 0.0 110.071 -172.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -140.91 146.19 37.09 Favored 'General case' 0 N--CA 1.394 -3.229 0 N-CA-C 104.716 -2.327 . . . . 0.0 104.716 162.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt -123.36 119.12 29.15 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mt -104.27 155.91 5.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 124.825 1.328 . . . . 0.0 110.229 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -157.73 115.26 3.02 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -176.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 7.53 96.33 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 128.99 2.916 . . . . 0.0 117.878 -169.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.97 -9.5 52.84 Favored Glycine 0 C--N 1.363 2.03 0 CA-C-O 117.084 -1.953 . . . . 0.0 115.665 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -139.33 125.16 19.64 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-O 125.281 2.467 . . . . 0.0 114.0 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.73 135.81 50.23 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 119.599 -1.938 . . . . 0.0 108.691 165.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.4 131.65 47.38 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 125.385 2.517 . . . . 0.0 116.165 -170.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.453 ' CD ' HH21 ' A' ' 54' ' ' ARG . 50.9 mt-10 -66.13 143.2 57.44 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 129.001 2.921 . . . . 0.0 117.035 171.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.79 -38.46 80.01 Favored 'General case' 0 CA--C 1.49 -1.352 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.276 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.43 22.66 39.61 Favored Glycine 0 C--O 1.206 -1.624 0 O-C-N 123.422 0.451 . . . . 0.0 111.981 -161.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.453 HH21 ' CD ' ' A' ' 51' ' ' GLU . 30.9 mmt180 -105.82 150.01 25.97 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 174.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 73.0 p -82.95 165.87 19.34 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.272 -0.892 . . . . 0.0 113.314 161.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.55 -36.02 79.43 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.745 0.783 . . . . 0.0 111.415 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 t -63.78 -36.77 84.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 118.624 -2.547 . . . . 0.0 114.202 167.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -62.33 -33.96 75.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.335 1.425 . . . . 0.0 111.826 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -90.04 -4.27 57.49 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.368 2.4 m120 78.3 38.11 0.18 Allowed 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.968 173.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.8 mm -72.54 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 CA-C-O 124.21 1.957 . . . . 0.0 109.563 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -104.06 164.32 11.79 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.628 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -69.86 131.8 45.02 Favored 'General case' 0 CA--C 1.573 1.856 0 CA-C-O 126.429 3.014 . . . . 0.0 113.322 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.287 25.4 mt-10 83.5 23.05 0.14 Allowed 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 112.342 -2.208 . . . . 0.0 113.25 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 m -68.26 137.64 54.89 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -98.99 126.66 44.74 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.337 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 mp -133.75 153.83 51.42 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 125.455 1.722 . . . . 0.0 108.213 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -120.84 128.59 52.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 118.241 -1.384 . . . . 0.0 112.997 -161.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.3 124.21 36.2 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 117.887 -1.525 . . . . 0.0 108.734 -175.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 167.464 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.6 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.024 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -79.87 138.61 37.21 Favored 'General case' 0 C--N 1.38 1.911 0 CA-C-O 123.436 1.589 . . . . 0.0 114.101 -173.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.629 HG22 ' HB2' ' A' ' 65' ' ' SER . 43.5 pt -133.59 141.85 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 O-C-N 118.497 -2.627 . . . . 0.0 109.524 165.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -98.37 115.0 27.54 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 124.883 1.273 . . . . 0.0 108.797 -172.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -96.09 133.6 36.71 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -105.6 121.76 44.65 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -71.5 167.82 18.87 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 117.552 -3.218 . . . . 0.0 110.84 162.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.52 -36.58 84.24 Favored 'General case' 0 C--N 1.373 1.597 0 O-C-N 126.185 2.178 . . . . 0.0 107.391 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -100.7 11.88 38.62 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.55 9.89 28.12 Favored Glycine 0 C--N 1.285 -2.294 0 CA-C-O 117.3 -1.833 . . . . 0.0 114.239 159.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -76.85 136.81 38.91 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 121.917 2.859 . . . . 0.0 107.787 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -91.56 127.34 36.97 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 127.371 2.919 . . . . 0.0 107.18 172.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -120.32 127.27 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.43 0 N-CA-C 103.089 -2.93 . . . . 0.0 103.089 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -119.27 123.74 44.98 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 126.86 2.064 . . . . 0.0 109.475 -168.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 30' ' ' ILE . 16.0 mt -117.14 156.88 26.88 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 127.672 3.108 . . . . 0.0 111.665 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -109.16 115.98 31.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 128.132 2.573 . . . . 0.0 104.332 172.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -132.91 -171.98 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -143.31 157.23 60.25 Favored Pre-proline 0 CA--C 1.57 1.72 0 O-C-N 117.624 -3.172 . . . . 0.0 106.114 167.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -70.4 -7.89 22.31 Favored 'Trans proline' 0 N--CA 1.513 2.623 0 CA-C-N 120.477 1.206 . . . . 0.0 114.334 -168.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -92.01 0.86 57.47 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.668 1.587 . . . . 0.0 112.566 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -74.36 150.85 39.89 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.082 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 p -102.68 170.9 7.74 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.56 -33.39 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.719 0 CA-C-O 116.48 -1.724 . . . . 0.0 114.695 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -53.4 -40.24 64.92 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.686 169.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.98 -30.55 71.54 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 117.064 -1.446 . . . . 0.0 114.298 169.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -76.99 -33.71 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 121.369 1.895 . . . . 0.0 106.999 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -63.65 -40.59 97.23 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 118.651 -2.53 . . . . 0.0 111.343 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.88 78.52 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 124.989 1.316 . . . . 0.0 113.111 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.93 -36.95 85.1 Favored 'General case' 0 C--N 1.362 1.12 0 CA-C-N 118.987 0.812 . . . . 0.0 112.518 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.409 HG13 HD11 ' A' ' 15' ' ' LEU . 67.5 mt -69.95 -43.39 79.47 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.976 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -56.96 -42.81 80.82 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 120.528 1.513 . . . . 0.0 112.885 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.267 3.4 t0 -59.79 -46.32 89.58 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.88 -1.137 . . . . 0.0 113.48 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -69.51 -51.51 35.11 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 169.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -121.93 5.98 9.86 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -163.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.92 9.66 86.9 Favored Glycine 0 CA--C 1.551 2.327 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mm -84.53 121.38 74.92 Favored Pre-proline 0 N--CA 1.508 2.454 0 CA-C-N 119.042 1.421 . . . . 0.0 112.035 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 7.9 Cg_exo -62.79 123.79 12.93 Favored 'Trans proline' 0 N--CA 1.517 2.873 0 C-N-CA 123.399 2.733 . . . . 0.0 114.838 -174.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 80.6 Cg_exo -51.14 -38.41 60.4 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 123.261 2.641 . . . . 0.0 115.51 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -59.43 -40.43 86.73 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 122.592 1.187 . . . . 0.0 111.804 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -88.13 -24.45 23.37 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 126.16 1.784 . . . . 0.0 112.993 -168.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.68 140.77 46.1 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -137.57 116.18 12.1 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.3 mt -112.0 126.65 55.37 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.127 -173.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.58 134.86 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.903 0 C-N-CA 125.254 1.422 . . . . 0.0 109.536 -172.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -141.73 120.49 12.65 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.31 39.54 28.4 Favored 'General case' 0 N--CA 1.516 2.846 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -165.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.0 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 117.395 1.718 . . . . 0.0 117.395 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -144.84 159.69 42.48 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.275 2.537 . . . . 0.0 108.552 172.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -51.74 159.86 0.74 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 131.315 3.846 . . . . 0.0 117.866 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -126.66 131.03 51.52 Favored 'General case' 0 N--CA 1.514 2.756 0 O-C-N 126.258 2.224 . . . . 0.0 106.502 -168.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.11 129.97 35.07 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.197 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.94 -33.67 57.47 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 113.388 -1.733 . . . . 0.0 110.852 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.41 85.85 Favored Glycine 0 C--N 1.293 -1.86 0 N-CA-C 118.289 2.076 . . . . 0.0 118.289 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -98.1 139.19 34.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.212 -1.169 . . . . 0.0 111.57 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -73.79 158.67 34.15 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.508 168.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.15 -26.41 65.75 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.844 2.457 . . . . 0.0 111.255 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.7 p -78.75 -18.78 53.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.97 1.471 . . . . 0.0 114.97 175.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.84 -35.41 76.91 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -89.32 -14.18 36.29 Favored 'General case' 0 C--O 1.185 -2.299 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.314 -177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 67.97 40.33 2.32 Favored 'General case' 0 N--CA 1.509 2.495 0 C-N-CA 127.13 2.172 . . . . 0.0 112.992 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.507 HD11 HD21 ' A' ' 67' ' ' LEU 0.277 4.5 mt -59.58 138.36 20.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 CA-C-O 122.111 0.957 . . . . 0.0 111.344 161.542 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -136.25 -177.58 4.77 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 113.184 -1.825 . . . . 0.0 108.19 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -58.82 125.7 24.61 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.213 2.672 . . . . 0.0 118.213 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 78.23 18.21 1.12 Allowed 'General case' 0 C--N 1.362 1.116 0 O-C-N 118.978 -2.326 . . . . 0.0 112.187 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.629 ' HB2' HG22 ' A' ' 3' ' ' ILE 0.292 22.0 m -63.67 139.56 58.78 Favored 'General case' 0 CA--C 1.463 -2.375 0 CA-C-O 117.367 -1.301 . . . . 0.0 111.843 166.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -117.25 114.11 23.16 Favored 'General case' 0 C--N 1.384 2.088 0 O-C-N 126.964 2.665 . . . . 0.0 112.89 -171.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.507 HD21 HD11 ' A' ' 61' ' ' ILE . 64.5 mt -105.32 153.46 21.59 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-O 115.261 -2.304 . . . . 0.0 108.398 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -116.55 124.24 49.38 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 125.615 1.822 . . . . 0.0 107.607 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -90.42 147.33 23.5 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-O 123.741 1.734 . . . . 0.0 110.707 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 -179.115 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.516 2.869 0 CA-C-O 120.348 0.118 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -79.94 143.85 33.84 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.07 134.55 66.25 Favored 'Isoleucine or valine' 0 C--N 1.373 1.607 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 162.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -100.52 118.36 36.55 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.32 133.18 66.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 122.747 1.261 . . . . 0.0 110.425 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -99.67 121.48 41.3 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.219 -173.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.5 p -81.6 165.0 21.48 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 124.075 1.893 . . . . 0.0 111.497 173.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -57.15 -42.88 81.84 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 112.558 -2.11 . . . . 0.0 115.89 168.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -8.26 2.2 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 169.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.7 22.33 26.42 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 117.454 1.742 . . . . 0.0 117.454 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -105.33 140.08 39.0 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 118.759 -2.613 . . . . 0.0 112.125 -170.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -79.58 110.96 15.39 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.039 -1.064 . . . . 0.0 110.461 167.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.5 mm -102.22 132.84 47.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 m -77.31 123.54 26.62 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD11 ' HB ' ' A' ' 30' ' ' ILE . 44.0 mt -113.58 129.28 56.59 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 118.571 -1.251 . . . . 0.0 113.151 171.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -102.65 112.66 25.53 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.45 147.26 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.116 -163.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -86.4 153.96 56.5 Favored Pre-proline 0 N--CA 1.475 0.802 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.32 -19.84 61.89 Favored 'Trans proline' 0 N--CA 1.515 2.782 0 N-CA-C 108.93 -1.219 . . . . 0.0 108.93 -175.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -91.27 17.11 8.74 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 119.474 -2.016 . . . . 0.0 113.799 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.34 139.71 30.23 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-O 124.2 1.952 . . . . 0.0 111.559 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -70.02 154.26 42.17 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 124.411 2.053 . . . . 0.0 115.724 172.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -63.8 -31.19 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 O-C-N 118.457 -2.652 . . . . 0.0 113.509 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.09 -53.21 28.77 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-O 124.387 2.041 . . . . 0.0 113.061 163.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . 0.293 39.6 t-20 -58.51 -44.93 89.64 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 114.226 -1.352 . . . . 0.0 113.254 172.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -59.98 -42.78 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.643 0 O-C-N 119.996 -1.69 . . . . 0.0 111.377 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -60.09 -35.45 75.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 126.669 2.481 . . . . 0.0 117.412 163.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.36 64.56 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-O 117.388 -1.292 . . . . 0.0 108.858 174.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -68.92 -30.71 69.23 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 124.056 0.847 . . . . 0.0 111.977 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.524 ' HB ' HD11 ' A' ' 15' ' ' LEU . 18.9 tt -91.69 -15.95 8.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 118.406 -2.684 . . . . 0.0 107.404 -175.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.25 18.4 tt0 -64.31 -45.04 89.67 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 124.667 1.187 . . . . 0.0 112.485 162.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -57.38 -51.99 67.17 Favored 'General case' 0 C--N 1.364 1.219 0 O-C-N 125.185 1.553 . . . . 0.0 110.99 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -60.37 -55.56 32.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.57 -1.956 . . . . 0.0 115.83 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -124.41 -18.85 5.64 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.815 0.816 . . . . 0.0 112.696 -160.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.5 30.77 20.85 Favored Glycine 0 C--N 1.364 2.086 0 O-C-N 120.35 -1.469 . . . . 0.0 114.824 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.9 pp -71.96 150.55 92.74 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 115.225 -2.321 . . . . 0.0 109.211 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.428 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 86.0 Cg_endo -88.42 108.41 0.54 Allowed 'Trans proline' 0 C--N 1.282 -2.963 0 CA-C-O 112.704 -3.124 . . . . 0.0 116.903 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 6.6 Cg_exo -43.68 -53.76 4.2 Favored 'Trans proline' 0 N--CA 1.523 3.221 1 C-N-CA 125.407 4.072 . . . . 0.0 118.174 -178.689 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.62 -31.68 69.72 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 125.167 1.542 . . . . 0.0 113.968 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -78.45 -15.38 58.7 Favored 'General case' 0 C--N 1.367 1.352 0 O-C-N 119.551 -1.968 . . . . 0.0 114.727 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -123.92 120.59 32.98 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -166.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -100.11 120.52 39.98 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.774 2.03 . . . . 0.0 108.8 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.7 tp -78.54 128.93 34.23 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.934 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.92 141.2 20.07 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 119.959 -1.713 . . . . 0.0 108.696 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.68 139.29 49.02 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.541 2.4 . . . . 0.0 109.944 159.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.316 . . 40.18 55.61 2.68 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 125.29 1.436 . . . . 0.0 114.135 -176.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.93 -1.02 18.57 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 118.336 2.094 . . . . 0.0 118.336 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -121.59 127.47 50.94 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 118.796 1.298 . . . . 0.0 109.053 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.56 132.97 55.59 Favored 'General case' 0 N--CA 1.513 2.707 0 C-N-CA 125.671 1.589 . . . . 0.0 112.19 170.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.34 122.08 44.71 Favored 'General case' 0 N--CA 1.514 2.733 0 CA-C-O 116.8 -1.572 . . . . 0.0 109.806 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.4 140.97 57.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 125.633 1.833 . . . . 0.0 114.038 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.91 -39.66 90.2 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 123.566 1.65 . . . . 0.0 113.107 -171.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.78 -24.56 62.54 Favored Glycine 0 C--N 1.37 2.463 0 N-CA-C 119.723 2.649 . . . . 0.0 119.723 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -95.42 149.8 20.99 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.422 1.489 . . . . 0.0 113.089 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 p -77.55 167.61 21.33 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 117.745 -1.582 . . . . 0.0 113.323 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.77 -45.09 94.31 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.703 1.601 . . . . 0.0 111.27 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -66.29 -41.57 89.6 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 128.008 3.318 . . . . 0.0 110.828 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.86 -44.68 86.72 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 119.714 1.143 . . . . 0.0 112.452 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -81.34 -7.27 59.55 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.653 1.581 . . . . 0.0 114.445 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.52 36.94 2.74 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.869 1.667 . . . . 0.0 112.686 175.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.6 mm -85.15 131.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.371 1.511 0 C-N-CA 124.323 1.049 . . . . 0.0 110.175 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -111.49 159.01 18.49 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 125.633 1.833 . . . . 0.0 110.2 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.01 146.77 31.56 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-N 111.455 -2.611 . . . . 0.0 113.235 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.304 39.2 mt-10 77.35 0.33 2.94 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.6 m -82.63 148.56 27.91 Favored 'General case' 0 CA--C 1.564 1.493 0 CA-C-O 123.512 1.625 . . . . 0.0 110.104 173.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.0 m -109.08 128.96 55.43 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -165.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mp -127.15 158.73 36.27 Favored 'General case' 0 C--O 1.196 -1.743 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -132.53 115.24 15.23 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.4 -2.063 . . . . 0.0 110.76 -166.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.23 140.27 57.11 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.933 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 CA--C 1.557 1.241 0 CA-C-N 119.462 1.028 . . . . 0.0 109.297 173.768 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.543 0.687 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.59 140.5 29.48 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-O 121.867 0.841 . . . . 0.0 110.288 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.1 168.92 21.48 Favored 'Isoleucine or valine' 0 C--N 1.374 1.633 0 O-C-N 120.124 -1.61 . . . . 0.0 109.18 159.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -113.41 143.88 43.73 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.65 111.84 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 173.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -105.06 112.41 25.53 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.212 -0.93 . . . . 0.0 109.618 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -66.6 147.69 52.93 Favored 'General case' 0 C--N 1.37 1.465 0 CA-C-O 122.581 1.182 . . . . 0.0 112.328 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 8' ' ' LEU . 13.1 tp -62.76 -11.6 18.67 Favored 'General case' 0 N--CA 1.504 2.266 0 CA-C-O 121.964 0.887 . . . . 0.0 111.952 174.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.6 p -86.83 -8.96 56.83 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.066 -1.647 . . . . 0.0 114.452 169.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.96 32.52 6.14 Favored Glycine 0 C--O 1.256 1.526 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 172.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -117.45 123.2 45.8 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-O 122.378 1.085 . . . . 0.0 111.217 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.9 m -97.75 107.08 19.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -172.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mm -92.51 128.03 44.33 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 125.973 2.046 . . . . 0.0 110.365 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.4 p -76.06 120.17 21.0 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 126.47 2.356 . . . . 0.0 112.822 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 tp -129.57 151.03 50.63 Favored 'General case' 0 C--N 1.401 2.817 0 O-C-N 119.684 -1.885 . . . . 0.0 111.468 174.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -114.51 123.53 49.62 Favored 'General case' 0 C--N 1.375 1.706 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.06 165.29 28.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 125.512 1.525 . . . . 0.0 109.575 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -105.29 163.49 17.03 Favored Pre-proline 0 CA--C 1.557 1.248 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.26 -23.87 15.06 Favored 'Trans proline' 0 N--CA 1.506 2.228 0 C-N-CA 121.419 1.413 . . . . 0.0 113.279 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 p -81.01 -0.51 39.97 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 171.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -66.91 146.7 54.11 Favored 'General case' 0 C--N 1.378 1.839 0 CA-C-N 119.787 1.176 . . . . 0.0 111.261 171.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 45.6 p -96.25 162.86 13.33 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 126.934 2.646 . . . . 0.0 108.903 172.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.404 HG13 ' HB3' ' A' ' 50' ' ' LEU . 19.4 mm -60.92 -38.14 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 113.808 -1.542 . . . . 0.0 114.547 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -58.62 -36.69 74.46 Favored 'General case' 0 C--O 1.272 2.279 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 160.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.44 -43.19 97.09 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 120.806 1.639 . . . . 0.0 112.546 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.04 -39.25 81.62 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 123.565 1.65 . . . . 0.0 113.793 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.96 -39.22 88.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 118.588 -2.57 . . . . 0.0 112.349 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.91 41.79 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -76.21 -36.22 58.7 Favored 'General case' 0 N--CA 1.415 -2.222 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.42 -43.4 90.35 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 165.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -59.77 -32.82 70.95 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 118.559 2.799 . . . . 0.0 118.559 171.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.91 -47.93 75.99 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.406 161.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 20.6 tptp -62.86 -46.91 85.69 Favored 'General case' 0 C--O 1.25 1.122 0 C-N-CA 118.257 -1.377 . . . . 0.0 114.431 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' HG2' ' HG3' ' A' ' 33' ' ' LYS . 63.8 mm-40 -135.16 -11.0 2.23 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 125.615 1.822 . . . . 0.0 111.9 -158.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 24.38 61.56 Favored Glycine 0 CA--C 1.544 1.88 0 N-CA-C 116.945 1.538 . . . . 0.0 116.945 174.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.7 mt -92.14 124.65 59.22 Favored Pre-proline 0 C--O 1.218 -0.597 0 CA-C-O 112.111 -3.804 . . . . 0.0 108.038 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -46.42 128.73 12.77 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 O-C-N 125.3 2.211 . . . . 0.0 111.931 -168.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.92 -28.02 11.64 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 CA-C-N 121.403 1.537 . . . . 0.0 113.718 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -11.15 60.62 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.441 1.713 . . . . 0.0 112.4 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -117.87 13.75 14.11 Favored 'General case' 0 CA--C 1.56 1.34 0 O-C-N 121.089 -1.007 . . . . 0.0 111.976 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -97.15 139.71 32.74 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -118.95 110.09 16.73 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 127.26 41.36 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 125.668 1.855 . . . . 0.0 111.134 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -115.53 143.7 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -116.06 113.41 23.13 Favored 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 122.171 0.986 . . . . 0.0 112.165 161.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.91 45.49 6.41 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.66 6.7 52.34 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 117.753 1.861 . . . . 0.0 117.753 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -135.05 114.24 12.23 Favored 'General case' 0 CA--C 1.585 2.306 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.71 125.78 25.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.289 1.436 . . . . 0.0 107.613 171.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.404 ' HB3' HG13 ' A' ' 23' ' ' ILE . 38.9 mt -99.78 114.61 27.87 Favored 'General case' 0 N--CA 1.406 -2.661 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 -167.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.94 141.31 54.01 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.203 1.401 . . . . 0.0 111.107 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.86 -32.97 69.93 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 117.167 -1.397 . . . . 0.0 113.987 -160.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.42 62.85 Favored Glycine 0 N--CA 1.505 3.284 0 O-C-N 128.164 3.415 . . . . 0.0 111.883 -171.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' THR . 41.8 mmt180 -77.85 158.46 29.45 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.461 -1.023 . . . . 0.0 110.081 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.2 p -107.42 163.01 13.41 Favored 'General case' 0 C--O 1.194 -1.851 0 CA-C-N 118.947 0.794 . . . . 0.0 109.663 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.2 mt -57.99 -36.83 73.19 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.4 m -54.97 -39.22 68.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 170.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.85 -36.84 81.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.48 1.512 . . . . 0.0 111.581 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -99.33 8.6 44.54 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -178.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m120 67.81 44.64 1.55 Allowed 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 121.522 -0.736 . . . . 0.0 109.29 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.0 mt -98.32 101.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.459 1.6 . . . . 0.0 108.015 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -89.38 162.26 15.88 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.262 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -53.51 140.86 26.93 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.603 -1.311 . . . . 0.0 112.969 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.282 47.4 mt-10 62.28 17.88 9.71 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.081 1.752 . . . . 0.0 115.044 -168.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -71.82 143.19 49.56 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-O 122.709 1.242 . . . . 0.0 108.689 166.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.03 121.47 38.95 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.658 -1.61 . . . . 0.0 106.726 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.86 153.15 19.0 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-O 122.615 1.198 . . . . 0.0 107.837 168.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -102.22 136.59 41.77 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 124.309 2.004 . . . . 0.0 107.755 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 tp -108.74 128.41 54.85 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.233 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.525 3.31 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.15 134.21 50.15 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 119.566 -1.959 . . . . 0.0 114.363 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.69 161.83 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 163.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -108.83 146.5 33.56 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 124.051 1.882 . . . . 0.0 109.656 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.15 125.72 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 CA-C-N 112.523 -2.126 . . . . 0.0 108.619 164.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.18 129.02 34.89 Favored 'General case' 0 C--N 1.363 1.192 0 O-C-N 127.536 3.023 . . . . 0.0 110.664 160.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -96.47 168.29 10.64 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 114.081 -1.418 . . . . 0.0 114.035 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.13 -8.37 56.36 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 p -98.88 2.91 47.06 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 124.06 0.944 . . . . 0.0 109.631 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.05 28.96 57.67 Favored Glycine 0 N--CA 1.424 -2.104 0 CA-C-O 118.728 -1.04 . . . . 0.0 113.041 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.25 70.9 tttt -92.72 149.64 21.18 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 118.517 1.159 . . . . 0.0 110.267 167.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -112.17 129.02 56.39 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 pt -123.69 142.12 41.51 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.308 0 CA-C-N 112.8 -2.0 . . . . 0.0 111.505 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -105.65 131.15 53.38 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 126.271 2.232 . . . . 0.0 108.345 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -129.67 161.01 31.58 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -169.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -126.31 118.95 26.14 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 124.925 2.298 . . . . 0.0 107.098 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.468 HG11 HG22 ' A' ' 26' ' ' VAL . 12.2 m -151.54 158.3 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 125.356 1.462 . . . . 0.0 107.348 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -111.01 164.13 15.64 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 119.588 -1.945 . . . . 0.0 111.069 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -45.38 -41.13 17.65 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 N-CA-C 117.749 2.173 . . . . 0.0 117.749 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -90.95 1.11 57.3 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 118.912 -2.368 . . . . 0.0 113.041 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -66.61 135.92 54.84 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.82 1.191 . . . . 0.0 113.419 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -67.05 151.81 46.94 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 121.001 -1.062 . . . . 0.0 111.427 171.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.58 -30.09 48.4 Favored 'Isoleucine or valine' 0 C--N 1.39 2.342 0 O-C-N 124.742 1.276 . . . . 0.0 110.51 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.85 -43.5 73.11 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.039 1.336 . . . . 0.0 113.736 170.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -73.76 -27.3 61.09 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 119.466 1.03 . . . . 0.0 112.078 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.468 HG22 HG11 ' A' ' 17' ' ' VAL . 6.5 t -67.81 -45.34 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 169.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -57.28 -40.7 78.31 Favored 'General case' 0 N--CA 1.513 2.725 0 CA-C-O 126.484 3.04 . . . . 0.0 112.703 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.04 73.49 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 111.767 -2.47 . . . . 0.0 114.414 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.46 -26.24 51.25 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.4 -35.89 34.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.281 0 O-C-N 119.511 -1.993 . . . . 0.0 108.641 169.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.342 1.9 tp-100 -53.24 -53.02 56.88 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 125.195 1.559 . . . . 0.0 113.92 168.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -49.61 -51.4 37.7 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 128.123 2.569 . . . . 0.0 113.26 169.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -67.25 -62.61 1.34 Allowed 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -106.75 -7.93 17.03 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 116.544 -1.694 . . . . 0.0 111.778 -161.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.33 11.75 64.09 Favored Glycine 1 CA--C 1.583 4.293 0 CA-C-N 122.307 2.321 . . . . 0.0 115.712 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mm -92.14 112.71 56.37 Favored Pre-proline 0 C--N 1.378 1.814 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.886 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.37 133.12 19.97 Favored 'Trans proline' 0 N--CA 1.512 2.599 0 C-N-CA 122.714 2.276 . . . . 0.0 113.346 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.39 -26.75 76.95 Favored 'Trans proline' 0 CA--C 1.48 -2.175 0 N-CA-C 117.425 2.048 . . . . 0.0 117.425 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.38 -15.58 61.85 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 125.006 1.441 . . . . 0.0 113.557 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -96.67 7.46 46.51 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 126.527 2.392 . . . . 0.0 108.963 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -112.83 153.91 27.11 Favored 'General case' 0 CA--C 1.572 1.803 0 C-N-CA 122.582 0.353 . . . . 0.0 110.991 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -147.2 121.18 9.38 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 170.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -95.12 148.92 21.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.68 -2.512 . . . . 0.0 114.9 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.4 mt -133.68 144.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 O-C-N 120.193 -1.567 . . . . 0.0 108.5 -174.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -148.0 145.14 28.4 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 114.637 -2.602 . . . . 0.0 105.734 165.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.64 30.74 16.96 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 128.472 3.608 . . . . 0.0 112.714 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.67 80.82 Favored Glycine 0 C--N 1.302 -1.339 0 N-CA-C 117.615 1.806 . . . . 0.0 117.615 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -137.87 145.66 42.45 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 118.111 0.956 . . . . 0.0 108.636 -166.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.59 142.25 27.99 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 127.379 2.925 . . . . 0.0 109.752 -170.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.07 124.86 53.57 Favored 'General case' 0 C--O 1.205 -1.273 0 O-C-N 124.847 1.342 . . . . 0.0 108.796 -171.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.29 139.98 57.31 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.08 -41.43 96.63 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 112.141 -2.3 . . . . 0.0 113.726 -167.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.39 10.13 55.89 Favored Glycine 0 CA--C 1.546 1.978 0 CA-C-O 115.01 -3.105 . . . . 0.0 111.822 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.435 HH21 ' CG ' ' A' ' 58' ' ' ASP . 19.8 mmm180 -113.04 169.23 9.08 Favored 'General case' 0 C--N 1.375 1.706 0 CA-C-N 123.055 3.427 . . . . 0.0 105.074 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -118.24 168.61 10.44 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-O 123.926 1.822 . . . . 0.0 110.428 -161.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.16 -36.01 78.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 118.74 -2.475 . . . . 0.0 114.577 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.252 43.3 t -55.27 -46.83 76.15 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 126.077 2.11 . . . . 0.0 115.048 161.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' CG ' HH21 ' A' ' 54' ' ' ARG . 73.1 m-20 -58.68 -43.2 89.86 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-O 125.618 2.628 . . . . 0.0 112.217 177.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -92.2 1.99 56.88 Favored 'General case' 0 N--CA 1.41 -2.447 0 CA-C-N 111.96 -2.382 . . . . 0.0 113.442 -173.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 t30 45.48 48.36 10.91 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 127.562 2.345 . . . . 0.0 116.982 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -76.73 144.87 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.788 0 CA-C-N 112.706 -2.043 . . . . 0.0 110.159 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -108.34 171.82 7.19 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.471 1.109 . . . . 0.0 111.031 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -60.87 139.57 57.94 Favored 'General case' 0 C--N 1.368 1.4 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 56.68 30.18 17.06 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.8 2.44 . . . . 0.0 115.48 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -66.87 157.9 31.95 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 121.233 -0.917 . . . . 0.0 111.795 170.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -113.14 109.09 18.21 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.871 1.32 . . . . 0.0 110.83 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -85.66 149.03 25.6 Favored 'General case' 0 CA--C 1.555 1.155 1 CA-C-N 108.125 -4.125 . . . . 0.0 110.618 169.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -118.55 131.54 56.21 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 101.452 -3.536 . . . . 0.0 101.452 -175.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 128.13 51.23 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-O 122.296 1.046 . . . . 0.0 111.323 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.564 1.506 0 C-N-CA 126.521 1.928 . . . . 0.0 108.029 172.205 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.54 153.71 24.73 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 124.271 1.986 . . . . 0.0 114.71 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 pt -140.01 161.16 26.17 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 O-C-N 119.748 -1.845 . . . . 0.0 109.094 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -111.54 122.52 48.05 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 112.798 -2.001 . . . . 0.0 106.524 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.73 113.75 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -85.07 123.73 30.93 Favored 'General case' 0 C--N 1.378 1.842 0 C-N-CA 123.471 0.708 . . . . 0.0 109.803 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 152.85 23.11 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 126.643 2.464 . . . . 0.0 110.075 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.77 -19.47 64.32 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.083 -2.261 . . . . 0.0 110.53 164.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -90.38 9.11 30.27 Favored 'General case' 0 C--N 1.39 2.335 0 O-C-N 127.46 2.975 . . . . 0.0 113.582 -172.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.88 37.3 16.51 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 120.453 -0.879 . . . . 0.0 114.773 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.8 168.69 19.26 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -137.36 114.18 10.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 103.12 -2.919 . . . . 0.0 103.12 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -83.38 112.58 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 111.969 -2.378 . . . . 0.0 112.469 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.7 m -81.88 118.25 22.78 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.236 -1.802 . . . . 0.0 110.15 170.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 pp -127.07 141.09 51.86 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 118.156 -1.418 . . . . 0.0 112.071 169.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -86.07 135.12 33.75 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.42 171.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.93 146.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.405 1.482 . . . . 0.0 112.162 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.62 156.41 65.12 Favored Pre-proline 0 C--N 1.372 1.585 0 C-N-CA 127.204 2.201 . . . . 0.0 109.572 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -72.23 -12.79 28.01 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 CA-C-N 124.27 2.561 . . . . 0.0 109.786 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 p -94.16 -0.84 54.99 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.47 149.85 49.35 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.16 -1.587 . . . . 0.0 108.896 172.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 67.0 p -97.97 155.55 17.04 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.795 1.934 . . . . 0.0 108.778 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -59.85 -34.82 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 O-C-N 118.171 -2.831 . . . . 0.0 110.464 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -42.29 -48.25 4.94 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 162.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -70.24 -32.93 71.0 Favored 'General case' 0 CA--C 1.598 2.805 0 C-N-CA 124.994 1.318 . . . . 0.0 111.313 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.57 -44.68 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.627 0 O-C-N 119.824 -1.798 . . . . 0.0 108.862 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.43 -38.53 87.61 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 127.512 3.008 . . . . 0.0 114.914 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.1 -30.59 67.83 Favored 'General case' 0 CA--C 1.581 2.148 0 O-C-N 126.107 2.13 . . . . 0.0 113.723 164.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.308 63.9 mttm -59.73 -42.94 94.27 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 115.346 -2.264 . . . . 0.0 113.784 163.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.8 mm -63.5 -33.31 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.759 0 O-C-N 125.557 1.785 . . . . 0.0 113.012 172.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.14 -41.83 84.56 Favored 'General case' 0 N--CA 1.428 -1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 111.147 173.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.57 -53.2 37.1 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.607 -1.308 . . . . 0.0 111.374 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -76.49 -24.15 53.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 116.204 -1.855 . . . . 0.0 113.515 -163.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -140.13 -8.06 1.18 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.784 1.302 . . . . 0.0 111.218 -175.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.07 31.06 44.23 Favored Glycine 0 C--N 1.364 2.131 0 CA-C-N 119.942 1.247 . . . . 0.0 114.606 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -99.64 122.15 52.26 Favored Pre-proline 0 C--O 1.255 1.366 0 C-N-CA 125.647 1.579 . . . . 0.0 111.452 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -65.75 149.26 87.06 Favored 'Trans proline' 0 C--N 1.301 -1.969 0 CA-C-O 113.788 -2.672 . . . . 0.0 111.119 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -59.2 -24.9 76.09 Favored 'Trans proline' 0 N--CA 1.513 2.671 0 C-N-CA 123.338 2.692 . . . . 0.0 117.547 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.79 -14.18 58.89 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.597 1.544 . . . . 0.0 108.938 -174.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -84.48 -10.72 57.22 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.698 -0.626 . . . . 0.0 111.51 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -106.07 141.09 38.03 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 117.278 -1.769 . . . . 0.0 110.465 -164.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -131.7 131.96 43.51 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.705 -3.813 . . . . 0.0 100.705 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -110.72 136.61 49.53 Favored 'General case' 0 N--CA 1.395 -3.185 0 CA-C-O 122.171 0.986 . . . . 0.0 112.336 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -122.84 133.11 69.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.131 0 CA-C-O 116.291 -1.814 . . . . 0.0 108.261 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -143.66 135.98 26.92 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 101.81 -3.404 . . . . 0.0 101.81 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.9 30.31 18.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.505 1.922 . . . . 0.0 115.048 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.29 16.81 60.83 Favored Glycine 0 C--O 1.252 1.242 0 CA-C-O 116.457 -2.301 . . . . 0.0 117.912 -169.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -122.02 151.41 40.86 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 124.408 2.051 . . . . 0.0 111.002 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.4 131.27 42.38 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 111.051 -2.795 . . . . 0.0 109.833 -174.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -97.32 128.08 43.85 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.931 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -84.65 146.03 27.68 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.74 -46.24 90.48 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 118.928 2.936 . . . . 0.0 118.928 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.83 -17.5 79.31 Favored Glycine 0 N--CA 1.489 2.167 0 CA-C-N 120.555 1.525 . . . . 0.0 114.177 -174.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -67.9 138.69 56.21 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 127.073 2.278 . . . . 0.0 112.878 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 68.5 p -82.42 166.68 19.18 Favored 'General case' 0 CA--C 1.558 1.265 0 O-C-N 119.9 -1.75 . . . . 0.0 113.651 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.42 -41.06 88.67 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 112.593 -2.094 . . . . 0.0 109.931 169.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -54.09 -45.33 71.77 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -53.33 -37.92 62.75 Favored 'General case' 0 C--O 1.251 1.18 0 C-N-CA 126.735 2.014 . . . . 0.0 113.077 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -97.87 0.03 45.91 Favored 'General case' 0 CA--C 1.485 -1.519 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.275 25.5 m120 62.2 44.45 7.71 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.854 1.662 . . . . 0.0 113.688 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 mt -83.57 118.33 30.87 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-O 122.289 1.042 . . . . 0.0 111.184 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.79 167.44 11.26 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.211 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 142.79 12.49 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.264 37.9 mt-10 71.56 16.55 5.84 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.744 174.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.1 m -75.74 157.89 32.95 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 118.648 -1.221 . . . . 0.0 114.242 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.2 m -110.38 116.63 31.78 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.023 -2.298 . . . . 0.0 105.032 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.3 163.24 13.16 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 122.898 1.333 . . . . 0.0 112.584 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -117.8 139.88 50.46 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 118.822 -2.424 . . . . 0.0 110.253 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -114.73 128.33 56.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.575 2.35 . . . . 0.0 109.225 -175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.435 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.528 3.446 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.55 149.6 24.25 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 126.367 2.292 . . . . 0.0 115.863 169.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 pt -138.7 168.11 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 112.415 -2.175 . . . . 0.0 107.556 164.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.14 138.88 53.34 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.78 -1.2 . . . . 0.0 110.714 -174.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.78 127.84 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 168.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -86.12 124.21 32.28 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 165.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -101.42 140.61 35.47 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.7 mt -86.36 13.1 8.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 109.08 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.2 p -91.31 -6.81 52.55 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.911 -1.118 . . . . 0.0 111.325 166.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.41 35.16 2.52 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 124.944 1.403 . . . . 0.0 112.044 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -136.4 157.78 45.98 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.99 1.895 . . . . 0.0 113.63 170.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 m -105.89 132.24 52.24 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.224 1.012 . . . . 0.0 109.136 173.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -108.86 143.14 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 m -113.88 126.09 54.79 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.47 0.481 . . . . 0.0 110.614 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 29' ' ' LYS . 97.2 mt -112.78 126.95 55.98 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -91.65 122.22 34.02 Favored 'General case' 0 C--N 1.378 1.807 0 CA-C-O 124.27 1.986 . . . . 0.0 110.038 165.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.63 163.21 31.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.327 0 CA-C-N 111.124 -2.762 . . . . 0.0 111.525 -174.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -112.73 143.42 28.98 Favored Pre-proline 0 N--CA 1.483 1.214 1 N-CA-C 99.797 -4.149 . . . . 0.0 99.797 174.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.23 -6.46 13.25 Favored 'Trans proline' 0 N--CA 1.508 2.332 0 CA-C-N 124.146 2.517 . . . . 0.0 117.337 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -87.4 -3.97 59.02 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 117.995 -1.482 . . . . 0.0 112.228 166.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -71.72 145.26 48.91 Favored 'General case' 0 C--N 1.362 1.132 0 CA-C-N 122.369 2.35 . . . . 0.0 114.248 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 163.48 25.05 Favored 'General case' 0 C--O 1.26 1.645 0 O-C-N 119.152 -2.217 . . . . 0.0 114.058 172.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.09 -34.2 68.65 Favored 'Isoleucine or valine' 0 C--N 1.373 1.6 0 CA-C-N 110.319 -3.128 . . . . 0.0 111.737 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -58.08 -40.49 81.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.361 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.12 -42.24 89.44 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 116.97 -1.49 . . . . 0.0 112.799 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.43 -43.87 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 126.46 2.35 . . . . 0.0 110.382 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -61.16 -31.31 71.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 119.997 -1.69 . . . . 0.0 113.872 171.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.59 -26.73 66.42 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 119.169 -1.013 . . . . 0.0 113.149 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HB3' HD22 ' A' ' 15' ' ' LEU . 77.4 mttt -87.09 -28.7 22.37 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.001 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.02 -45.33 98.96 Favored 'Isoleucine or valine' 0 C--N 1.406 3.03 0 O-C-N 125.919 2.012 . . . . 0.0 110.073 164.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -64.48 -45.16 88.55 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.354 1.034 . . . . 0.0 110.528 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.23 -44.45 95.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 117.052 -1.451 . . . . 0.0 110.986 176.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -70.8 -56.69 5.78 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 119.082 2.993 . . . . 0.0 119.082 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -106.55 -3.25 21.01 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 123.792 0.682 . . . . 0.0 112.665 -165.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 28.1 64.04 Favored Glycine 0 N--CA 1.499 2.893 0 O-C-N 119.716 -1.865 . . . . 0.0 113.465 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.3 mt -98.39 128.73 32.29 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -54.23 129.98 37.32 Favored 'Trans proline' 0 N--CA 1.533 3.84 0 N-CA-C 117.583 2.109 . . . . 0.0 117.583 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -63.71 -19.01 66.53 Favored 'Trans proline' 0 N--CA 1.513 2.645 0 CA-C-N 121.453 1.555 . . . . 0.0 114.36 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.59 -34.95 67.67 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -97.76 -5.48 34.88 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 123.086 2.676 . . . . 0.0 114.182 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -84.94 128.41 34.61 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -123.53 127.79 48.83 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 124.411 1.07 . . . . 0.0 110.749 155.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.97 143.81 26.6 Favored 'General case' 0 C--N 1.366 1.286 0 CA-C-O 116.821 -1.562 . . . . 0.0 107.775 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -126.81 124.02 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.825 0 O-C-N 127.149 2.78 . . . . 0.0 105.93 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -118.63 95.83 5.02 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 123.949 1.833 . . . . 0.0 107.671 -170.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.82 42.97 0.68 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 118.035 2.605 . . . . 0.0 118.035 -163.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 -21.79 35.46 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 117.304 -1.831 . . . . 0.0 111.394 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -87.7 120.47 29.06 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 118.847 1.324 . . . . 0.0 111.456 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -81.1 128.25 33.53 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.093 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -75.87 162.79 27.83 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 125.505 1.753 . . . . 0.0 111.115 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -112.49 143.52 43.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -58.56 -40.87 84.3 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 125.53 1.769 . . . . 0.0 115.464 -168.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.62 -4.49 76.2 Favored Glycine 0 CA--C 1.551 2.304 0 O-C-N 119.136 -2.227 . . . . 0.0 114.971 -165.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -83.33 158.62 22.11 Favored 'General case' 0 N--CA 1.511 2.606 0 CA-C-N 119.367 1.584 . . . . 0.0 109.954 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.7 p -90.93 153.47 20.16 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.579 1.657 . . . . 0.0 111.552 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.18 -35.95 60.4 Favored 'General case' 0 CA--C 1.577 2.006 0 O-C-N 119.877 -1.764 . . . . 0.0 110.304 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.8 t -59.37 -30.1 68.16 Favored 'General case' 0 CA--C 1.58 2.115 0 O-C-N 119.794 -1.816 . . . . 0.0 112.971 173.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.96 -21.0 60.18 Favored 'General case' 0 C--N 1.389 2.309 0 CA-C-N 119.888 1.222 . . . . 0.0 111.439 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -99.79 0.03 40.79 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 116.753 -1.594 . . . . 0.0 113.628 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.266 59.7 m-20 40.2 49.54 2.45 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 125.5 2.571 . . . . 0.0 116.399 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.82 122.13 31.98 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-N 113.694 -1.594 . . . . 0.0 108.171 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -112.65 169.35 8.96 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 110.668 -2.969 . . . . 0.0 113.807 -173.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 141.87 44.66 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 68.91 15.6 8.88 Favored 'General case' 0 N--CA 1.491 1.579 1 O-C-N 129.18 4.05 . . . . 0.0 112.816 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -73.7 160.82 30.99 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.685 -1.26 . . . . 0.0 112.462 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.0 m -123.88 112.47 17.29 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.845 1.658 . . . . 0.0 108.503 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.9 mt -111.09 149.6 30.59 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-O 123.689 1.709 . . . . 0.0 109.319 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -109.89 137.68 47.33 Favored 'General case' 0 CA--C 1.481 -1.682 0 O-C-N 119.304 -2.122 . . . . 0.0 106.579 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.75 109.64 21.58 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.778 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 174.829 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.293 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.593 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -87.55 135.15 33.47 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.131 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -126.54 167.53 21.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 104.94 -2.245 . . . . 0.0 104.94 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -122.09 153.75 38.27 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 123.75 1.738 . . . . 0.0 109.022 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.431 HG13 ' HB2' ' A' ' 67' ' ' LEU . 2.9 t -136.28 125.84 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 O-C-N 120.77 -1.206 . . . . 0.0 107.845 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -106.11 127.97 53.56 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -89.48 155.95 18.96 Favored 'General case' 0 C--O 1.258 1.513 0 CA-C-O 124.96 2.314 . . . . 0.0 109.091 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.64 -37.34 81.19 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.073 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -32.82 68.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 173.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.56 26.46 2.38 Favored Glycine 0 CA--C 1.474 -2.514 0 CA-C-O 118.018 -1.434 . . . . 0.0 114.819 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -108.43 149.94 28.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -116.27 114.07 23.87 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -86.05 138.23 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -109.81 105.44 14.66 Favored 'General case' 0 C--N 1.395 2.554 0 N-CA-C 104.727 -2.323 . . . . 0.0 104.727 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -113.43 124.82 53.33 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 101.119 -3.66 . . . . 0.0 101.119 -161.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -96.71 122.84 40.09 Favored 'General case' 0 N--CA 1.536 3.833 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.992 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.04 166.0 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.798 0 O-C-N 118.09 -2.881 . . . . 0.0 108.341 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -96.13 138.77 21.59 Favored Pre-proline 0 C--O 1.203 -1.37 0 CA-C-N 110.727 -2.942 . . . . 0.0 103.885 171.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.22 -28.06 69.28 Favored 'Trans proline' 0 N--CA 1.533 3.852 0 CA-C-N 122.738 2.014 . . . . 0.0 114.869 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.3 p -89.23 20.76 3.56 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 117.757 -1.116 . . . . 0.0 113.489 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.56 144.99 35.06 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 125.157 1.536 . . . . 0.0 114.398 166.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 26' ' ' VAL . 43.8 p -84.02 160.8 20.92 Favored 'General case' 0 N--CA 1.52 3.035 0 CA-C-N 113.487 -1.688 . . . . 0.0 108.271 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 50' ' ' LEU . 38.9 mm -62.88 -34.84 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 119.422 -2.049 . . . . 0.0 111.239 171.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.42 -42.93 83.29 Favored 'General case' 0 CA--C 1.572 1.827 0 C-N-CA 117.801 -1.56 . . . . 0.0 114.753 170.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -64.46 -37.37 87.3 Favored 'General case' 1 N--CA 1.54 4.048 0 C-N-CA 125.625 1.57 . . . . 0.0 110.799 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 22' ' ' THR . 79.7 t -60.76 -41.74 89.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 126.98 2.675 . . . . 0.0 110.411 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.28 -42.03 97.96 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.716 1.606 . . . . 0.0 112.477 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.56 64.3 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 123.287 1.518 . . . . 0.0 112.575 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.37 -37.47 66.03 Favored 'General case' 0 C--O 1.269 2.101 0 O-C-N 119.842 -1.786 . . . . 0.0 111.47 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.85 -30.11 49.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 O-C-N 123.686 0.617 . . . . 0.0 111.197 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -59.92 -49.46 77.6 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.577 1.551 . . . . 0.0 109.784 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.53 -42.68 99.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 119.32 3.082 . . . . 0.0 119.32 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -121.9 -16.96 7.47 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.183 1.81 . . . . 0.0 112.832 -172.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.88 56.56 8.03 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 -168.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.1 mt -124.47 120.72 25.96 Favored Pre-proline 0 C--N 1.394 2.507 0 CA-C-N 120.345 2.072 . . . . 0.0 106.071 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.34 141.4 95.63 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 CA-C-O 114.167 -2.514 . . . . 0.0 111.492 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -33.6 -44.72 0.32 Allowed 'Trans proline' 0 N--CA 1.527 3.45 1 C-N-CA 128.398 6.065 . . . . 0.0 117.007 172.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -86.68 -5.03 59.24 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.17 -21.81 36.34 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 117.456 -3.278 . . . . 0.0 110.529 167.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.79 122.9 30.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 127.358 2.911 . . . . 0.0 114.236 -170.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -118.21 123.81 46.39 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 50' ' ' LEU . 16.0 mt -105.23 133.84 49.33 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 124.688 2.185 . . . . 0.0 114.466 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -126.52 136.65 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.615 -169.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -131.25 130.05 42.37 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.24 33.58 11.52 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 162.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.19 74.65 Favored Glycine 0 CA--C 1.553 2.444 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.032 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -148.72 148.93 30.59 Favored 'General case' 0 CA--C 1.581 2.137 0 CA-C-N 118.842 1.321 . . . . 0.0 111.75 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.02 136.66 37.26 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 120.28 -1.512 . . . . 0.0 112.203 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 23' ' ' ILE . 20.3 mt -70.73 139.5 51.13 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 117.622 -1.18 . . . . 0.0 113.325 175.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.96 139.46 44.87 Favored 'General case' 0 C--N 1.391 2.384 0 CA-C-N 118.763 0.71 . . . . 0.0 112.418 163.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -62.51 -40.67 97.47 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.51 0.87 75.02 Favored Glycine 0 N--CA 1.488 2.114 0 CA-C-N 120.167 1.349 . . . . 0.0 114.773 -171.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -83.16 150.06 26.48 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 116.307 -1.806 . . . . 0.0 111.228 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.1 p -96.65 164.58 12.53 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 125.315 1.634 . . . . 0.0 111.056 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.04 -19.98 63.27 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.626 1.679 . . . . 0.0 113.506 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -70.3 -35.15 73.5 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 116.465 -1.731 . . . . 0.0 113.744 168.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -65.33 -32.93 74.83 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 120.926 1.694 . . . . 0.0 111.75 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -86.37 -4.22 59.13 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 171.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.4 m120 57.24 38.66 28.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.181 0.515 . . . . 0.0 112.086 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.97 124.99 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.774 0.797 . . . . 0.0 110.988 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.14 153.15 26.17 Favored 'General case' 0 C--O 1.191 -2.0 0 CA-C-N 113.832 -1.531 . . . . 0.0 113.856 173.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -60.68 149.87 33.95 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.684 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 66.1 14.29 9.55 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 124.87 1.268 . . . . 0.0 114.38 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -95.65 170.67 9.17 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 119.234 0.925 . . . . 0.0 109.597 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.1 m -122.66 124.74 44.13 Favored 'General case' 0 C--O 1.19 -2.045 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -167.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.431 ' HB2' HG13 ' A' ' 5' ' ' VAL . 25.6 mt -90.7 139.67 30.5 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 165.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -94.53 144.37 25.64 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 122.84 1.305 . . . . 0.0 109.527 164.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 tp -114.06 128.93 56.6 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 N--CA 1.494 1.768 0 O-C-N 128.679 3.737 . . . . 0.0 110.059 177.466 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ptt? . . . . . 0 N--CA 1.5 2.056 0 N-CA-C 106.46 -1.682 . . . . 0.0 106.46 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -100.43 147.62 25.65 Favored 'General case' 0 N--CA 1.509 2.498 0 CA-C-N 114.345 -1.298 . . . . 0.0 113.71 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -141.16 159.55 22.87 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -120.83 133.29 55.32 Favored 'General case' 0 CA--C 1.475 -1.924 0 CA-C-N 109.836 -3.347 . . . . 0.0 105.018 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.46 123.98 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.042 0 O-C-N 125.204 1.565 . . . . 0.0 108.008 175.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -103.62 135.29 45.48 Favored 'General case' 0 C--O 1.202 -1.433 0 C-N-CA 127.46 2.304 . . . . 0.0 108.135 -171.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -95.47 166.11 12.02 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 tp -66.96 -30.67 70.86 Favored 'General case' 0 CA--C 1.576 1.967 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -92.76 17.58 10.19 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-O 116.522 -1.704 . . . . 0.0 115.034 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 -18.22 33.24 Favored Glycine 0 N--CA 1.514 3.838 0 CA-C-N 121.307 1.867 . . . . 0.0 115.437 158.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -68.54 151.57 46.58 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.489 -1.243 . . . . 0.0 113.175 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.0 m -125.22 133.44 52.72 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 123.519 2.872 . . . . 0.0 108.738 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.43 128.95 63.6 Favored 'Isoleucine or valine' 0 C--N 1.401 2.807 0 O-C-N 118.697 -2.502 . . . . 0.0 107.735 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -108.11 116.65 32.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.589 1.54 . . . . 0.0 107.396 -166.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.421 HD11 ' CG1' ' A' ' 30' ' ' ILE . 12.1 mt -115.62 135.25 54.25 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 112.146 -2.297 . . . . 0.0 110.686 -169.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -101.45 119.99 39.6 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.63 169.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 C-N-CA 126.863 2.065 . . . . 0.0 110.054 -164.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -119.41 154.54 54.2 Favored Pre-proline 0 C--N 1.368 1.401 0 O-C-N 120.698 -1.251 . . . . 0.0 113.853 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -41.75 -46.75 6.44 Favored 'Trans proline' 1 N--CA 1.547 4.673 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 171.253 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 p -86.74 25.84 1.21 Allowed 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 125.729 1.612 . . . . 0.0 110.684 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -100.19 136.97 39.26 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 168.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -78.44 162.61 26.27 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 124.478 2.085 . . . . 0.0 112.471 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.42 -34.99 73.77 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 113.202 -1.817 . . . . 0.0 109.625 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.77 -42.91 76.21 Favored 'General case' 0 C--N 1.373 1.619 0 CA-C-O 122.984 1.373 . . . . 0.0 114.308 171.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -67.01 -43.24 83.37 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-N 111.736 -2.484 . . . . 0.0 114.634 172.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.9 -42.56 95.15 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.205 0 O-C-N 119.549 -1.97 . . . . 0.0 109.667 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.48 -44.57 95.8 Favored 'General case' 0 N--CA 1.527 3.398 0 CA-C-O 122.874 1.321 . . . . 0.0 111.139 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.78 68.23 Favored 'General case' 0 CA--C 1.56 1.335 0 O-C-N 118.598 -2.564 . . . . 0.0 113.783 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -68.17 -35.7 78.46 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.113 0.87 . . . . 0.0 110.442 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CG1' HD11 ' A' ' 15' ' ' LEU . 79.5 mt -74.51 -25.06 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.803 1.241 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.39 -45.78 87.67 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 127.563 2.345 . . . . 0.0 113.51 170.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -74.71 -21.96 59.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 126.307 2.254 . . . . 0.0 111.387 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -85.36 -62.1 1.61 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 122.615 1.198 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -115.29 14.71 16.9 Favored 'General case' 0 C--O 1.189 -2.121 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.908 -169.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.68 30.15 66.67 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 119.923 -1.735 . . . . 0.0 113.64 168.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mt -95.86 120.01 63.85 Favored Pre-proline 0 CA--C 1.576 1.979 0 CA-C-N 119.608 1.704 . . . . 0.0 110.339 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.97 130.9 8.19 Favored 'Trans proline' 0 N--CA 1.518 2.968 0 CA-C-N 120.561 1.236 . . . . 0.0 114.165 162.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -68.52 -34.35 20.22 Favored 'Trans proline' 0 N--CA 1.518 2.952 0 CA-C-O 122.059 0.774 . . . . 0.0 112.839 -160.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.26 -10.52 57.6 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.094 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -71.64 -14.3 62.02 Favored 'General case' 0 C--N 1.371 1.524 0 CA-C-N 122.877 2.58 . . . . 0.0 111.485 164.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -83.29 125.2 31.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 118.362 -2.711 . . . . 0.0 114.961 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.294 85.8 mtt180 -106.68 111.9 24.65 Favored 'General case' 0 N--CA 1.418 -2.028 0 C-N-CA 125.189 1.396 . . . . 0.0 110.792 163.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 43' ' ' LEU . 8.4 mt -99.28 111.02 23.48 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.4 mt -113.6 134.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.89 0 CA-C-O 124.441 2.067 . . . . 0.0 106.127 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -133.83 125.72 29.0 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 119.056 -2.277 . . . . 0.0 107.322 170.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.93 61.79 2.93 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 125.989 2.055 . . . . 0.0 113.414 166.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 5.2 88.59 Favored Glycine 0 N--CA 1.509 3.536 0 CA-C-N 113.324 -1.762 . . . . 0.0 114.751 165.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -154.49 163.85 39.56 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -71.63 150.17 44.89 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 mt -85.16 126.01 33.29 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.576 160.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.17 140.64 58.43 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 123.599 1.666 . . . . 0.0 113.99 166.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.38 -36.41 79.13 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -167.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.91 5.57 70.15 Favored Glycine 0 N--CA 1.512 3.705 0 C-N-CA 127.762 2.601 . . . . 0.0 111.59 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -110.95 154.92 23.43 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.083 1.942 . . . . 0.0 106.111 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -90.16 159.85 16.55 Favored 'General case' 0 N--CA 1.426 -1.633 0 O-C-N 124.088 0.867 . . . . 0.0 112.381 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 118.774 -2.454 . . . . 0.0 111.783 162.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -68.8 -33.4 73.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.954 1.252 . . . . 0.0 110.497 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -60.25 -45.76 92.15 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 127.456 2.302 . . . . 0.0 113.487 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -86.32 -6.8 58.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.793 1.308 . . . . 0.0 108.425 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 77.52 29.72 0.52 Allowed 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -95.35 123.91 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.191 0 CA-C-O 115.558 -2.163 . . . . 0.0 108.562 -164.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -93.77 162.39 13.94 Favored 'General case' 0 C--O 1.194 -1.86 0 O-C-N 126.708 2.505 . . . . 0.0 111.435 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.57 151.95 0.07 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 166.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.37 44.6 mt-10 72.99 -9.88 1.07 Allowed 'General case' 0 C--O 1.194 -1.854 0 O-C-N 119.348 -2.095 . . . . 0.0 114.423 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -52.42 147.1 8.56 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 122.725 2.511 . . . . 0.0 116.991 172.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -99.91 114.34 27.51 Favored 'General case' 0 C--N 1.373 1.61 0 N-CA-C 105.669 -1.975 . . . . 0.0 105.669 175.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.35 159.02 16.21 Favored 'General case' 0 CA--C 1.491 -1.312 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -117.58 142.26 47.4 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 120.803 1.638 . . . . 0.0 109.652 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.72 121.81 43.62 Favored 'General case' 0 N--CA 1.52 3.035 0 O-C-N 128.347 3.53 . . . . 0.0 112.795 -174.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 169.167 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -85.02 145.15 27.84 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-O 124.028 1.871 . . . . 0.0 109.603 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 pt -128.52 159.34 40.2 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 CA-C-N 111.288 -2.687 . . . . 0.0 106.006 164.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -109.41 135.14 50.93 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.335 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.36 115.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.846 0 O-C-N 124.887 1.367 . . . . 0.0 108.675 169.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.365 47.0 mtpt -107.08 118.25 36.2 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 123.725 1.726 . . . . 0.0 114.297 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.3 p -61.63 163.79 6.74 Favored 'General case' 0 C--N 1.423 3.786 0 O-C-N 117.935 -2.978 . . . . 0.0 114.072 171.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.2 -39.37 94.46 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 121.376 -0.828 . . . . 0.0 112.677 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.261 25.5 p -78.75 -17.23 56.14 Favored 'General case' 0 C--N 1.378 1.83 0 O-C-N 117.924 -2.985 . . . . 0.0 116.259 174.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.6 4.24 Favored Glycine 0 CA--C 1.557 2.711 0 CA-C-O 113.553 -3.915 . . . . 0.0 121.359 164.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -78.29 134.07 37.57 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 121.146 2.473 . . . . 0.0 114.06 165.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.8 m -96.55 126.29 41.63 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 124.88 1.362 . . . . 0.0 108.853 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.43 113.24 43.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 173.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.5 m -90.66 114.26 26.51 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 112.907 -1.951 . . . . 0.0 107.153 -172.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 mt -110.32 137.59 47.84 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 123.458 0.703 . . . . 0.0 112.054 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -101.33 118.22 36.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.616 -1.174 . . . . 0.0 111.173 172.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -147.56 160.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 O-C-N 124.739 1.274 . . . . 0.0 107.967 -174.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 31.0 mt-10 -100.77 165.59 14.02 Favored Pre-proline 0 CA--C 1.572 1.809 0 CA-C-O 117.248 -1.358 . . . . 0.0 109.0 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.57 -32.13 79.67 Favored 'Trans proline' 0 N--CA 1.531 3.692 0 CA-C-N 122.894 2.069 . . . . 0.0 116.097 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -93.79 5.85 50.31 Favored 'General case' 0 CA--C 1.567 1.611 0 O-C-N 120.389 -1.445 . . . . 0.0 110.595 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.53 154.4 32.61 Favored 'General case' 0 C--N 1.38 1.916 0 CA-C-O 123.442 1.591 . . . . 0.0 112.601 157.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.6 p -112.52 171.67 7.38 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 113.63 -1.623 . . . . 0.0 112.294 -164.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.16 -35.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.56 166.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.32 -36.14 81.26 Favored 'General case' 0 N--CA 1.518 2.975 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.949 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -60.39 -44.17 95.92 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.989 169.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.86 -47.06 89.94 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 CA-C-N 120.032 1.287 . . . . 0.0 112.675 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.68 -45.22 89.93 Favored 'General case' 0 C--N 1.375 1.676 0 CA-C-N 121.065 1.757 . . . . 0.0 115.095 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . 0.254 . . -57.37 -43.43 83.57 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 125.022 2.344 . . . . 0.0 112.053 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -66.29 -29.45 69.67 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 174.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -83.83 -25.31 7.6 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 125.512 1.758 . . . . 0.0 112.821 171.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.99 -50.0 70.07 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 157.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -61.5 -39.83 92.39 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 122.611 1.196 . . . . 0.0 114.003 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -80.93 -77.49 0.2 Allowed 'General case' 0 C--N 1.364 1.226 0 CA-C-O 114.774 -2.536 . . . . 0.0 111.675 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.301 76.7 mm-40 -88.4 -4.88 58.57 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.66 24.25 33.69 Favored Glycine 0 C--O 1.214 -1.129 0 O-C-N 127.255 2.847 . . . . 0.0 115.515 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.8 mt -96.27 132.53 26.51 Favored Pre-proline 0 N--CA 1.483 1.19 0 CA-C-O 116.427 -1.749 . . . . 0.0 111.733 -164.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -55.01 131.69 47.92 Favored 'Trans proline' 0 CA--C 1.563 1.955 0 C-N-CA 122.162 1.908 . . . . 0.0 112.367 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -47.95 -35.92 26.16 Favored 'Trans proline' 0 N--CA 1.508 2.366 1 C-N-CA 126.313 4.675 . . . . 0.0 114.032 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.7 -16.92 60.1 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-N 119.856 1.207 . . . . 0.0 113.32 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -87.26 -13.41 43.84 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 119.875 -1.765 . . . . 0.0 107.857 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.85 131.26 38.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 -168.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.08 113.7 23.52 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 160.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -105.77 124.61 49.85 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -123.18 133.5 68.93 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-O 124.135 1.922 . . . . 0.0 108.936 -163.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -146.72 147.2 30.72 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 104.986 -2.227 . . . . 0.0 104.986 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.91 36.17 23.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.072 1.749 . . . . 0.0 114.713 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.75 11.86 85.02 Favored Glycine 0 C--N 1.3 -1.422 0 N-CA-C 118.109 2.004 . . . . 0.0 118.109 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -149.75 153.92 37.66 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 119.846 1.823 . . . . 0.0 107.078 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.88 124.76 24.58 Favored 'General case' 0 C--O 1.258 1.508 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.104 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -66.71 147.67 52.95 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 112.495 -2.139 . . . . 0.0 113.688 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -104.26 140.89 37.21 Favored 'General case' 0 CA--C 1.578 2.041 0 O-C-N 124.428 1.08 . . . . 0.0 111.764 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.63 -50.52 24.2 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.56 -6.46 81.07 Favored Glycine 0 C--O 1.203 -1.805 0 CA-C-O 117.981 -1.455 . . . . 0.0 115.406 -170.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -92.33 166.26 12.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 123.359 1.552 . . . . 0.0 109.909 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -99.95 164.15 12.13 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.164 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.16 -30.38 71.54 Favored 'General case' 0 C--O 1.28 2.697 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.787 162.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -61.66 -39.94 93.14 Favored 'General case' 0 C--N 1.379 1.865 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 166.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.18 -33.37 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.325 1.05 . . . . 0.0 113.763 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -95.6 -5.31 42.81 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.43 64.95 0.78 Allowed 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 125.023 1.329 . . . . 0.0 110.761 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.2 mm -100.23 110.47 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 CA-C-O 125.921 2.772 . . . . 0.0 108.782 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -76.4 167.92 20.99 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 110.046 -3.252 . . . . 0.0 116.548 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -69.57 116.81 10.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.806 -166.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 82.8 29.56 0.1 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.692 2.187 . . . . 0.0 108.656 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 t -77.2 153.88 33.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 118.954 -2.341 . . . . 0.0 116.499 169.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.1 m -102.04 121.16 41.65 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 118.614 -2.554 . . . . 0.0 112.516 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.89 141.25 31.1 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 125.286 2.47 . . . . 0.0 111.498 161.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -89.67 137.67 32.13 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 119.96 -1.712 . . . . 0.0 109.117 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.9 tp -120.36 128.49 53.29 Favored 'General case' 0 C--O 1.264 1.829 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 C--O 1.202 -1.406 0 N-CA-C 102.017 -3.327 . . . . 0.0 102.017 -176.32 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 CA--C 1.555 1.171 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -106.73 124.09 49.1 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.82 152.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -105.29 138.74 41.02 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-O 123.313 1.53 . . . . 0.0 109.1 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.17 120.71 65.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 O-C-N 120.468 -1.395 . . . . 0.0 107.919 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -97.32 111.18 23.54 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.08 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -67.23 162.75 21.91 Favored 'General case' 0 C--N 1.411 3.278 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.469 HD22 ' H ' ' A' ' 71' ' ' LEU . 41.2 tp -64.98 -38.53 91.28 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 117.303 2.335 . . . . 0.0 117.303 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p -79.01 -15.02 58.83 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 168.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.68 27.99 2.2 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 118.959 2.343 . . . . 0.0 118.959 157.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -92.52 159.18 15.63 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 m -104.64 130.11 52.69 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 pt -116.96 145.44 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 CA-C-O 122.474 1.13 . . . . 0.0 110.299 161.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -110.85 122.86 48.91 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.902 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 mt -117.22 133.17 56.31 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 109.354 -174.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.79 113.37 22.56 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.532 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -128.56 172.53 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.686 1.195 . . . . 0.0 112.839 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.26 158.26 41.67 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -58.76 -32.87 97.9 Favored 'Trans proline' 0 N--CA 1.518 2.961 0 C-N-CA 120.96 1.107 . . . . 0.0 114.632 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.8 p -81.42 0.53 37.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 127.042 2.714 . . . . 0.0 115.902 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -74.09 131.15 41.04 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 125.016 2.341 . . . . 0.0 111.495 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.1 p -75.86 155.21 35.52 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.805 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.91 -35.69 52.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.229 0 CA-C-N 110.337 -3.12 . . . . 0.0 111.493 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.45 -45.17 55.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 127.446 2.966 . . . . 0.0 112.873 165.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.69 -30.99 24.35 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 118.298 -2.751 . . . . 0.0 109.565 -172.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.76 -34.41 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.975 0 CA-C-N 119.724 1.147 . . . . 0.0 111.988 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -66.67 -34.89 78.87 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.502 -0.749 . . . . 0.0 111.331 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.29 96.87 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.605 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -60.6 -38.28 84.16 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 167.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -60.91 -42.9 94.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-N 120.191 1.359 . . . . 0.0 111.406 166.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -57.36 -43.82 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 121.607 2.003 . . . . 0.0 111.3 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -53.5 -61.93 1.98 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -62.24 -50.84 70.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.118 1.767 . . . . 0.0 111.805 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -98.94 -12.36 20.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.097 2.999 . . . . 0.0 119.097 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.86 78.44 Favored Glycine 0 C--O 1.175 -3.542 0 O-C-N 118.795 -2.441 . . . . 0.0 115.027 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.56 118.91 60.04 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 119.038 -2.448 . . . . 0.0 110.225 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -46.92 135.75 17.59 Favored 'Trans proline' 1 N--CA 1.548 4.69 0 CA-C-N 123.593 2.319 . . . . 0.0 117.739 167.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -50.37 -36.79 49.04 Favored 'Trans proline' 0 C--O 1.208 -0.994 0 C-N-CA 122.27 1.98 . . . . 0.0 116.754 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.22 -39.01 13.18 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 129.227 4.079 . . . . 0.0 112.0 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -97.21 8.54 44.34 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 124.783 1.302 . . . . 0.0 111.837 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -106.01 138.73 41.69 Favored 'General case' 0 CA--C 1.571 1.764 0 C-N-CA 124.967 1.307 . . . . 0.0 110.301 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.523 HH22 ' C ' ' A' ' 76' ' ' GLY . 17.1 ttm180 -125.11 137.11 54.18 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.602 1.561 . . . . 0.0 107.454 161.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -112.73 140.01 47.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.329 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.35 148.16 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.809 0 O-C-N 125.119 1.512 . . . . 0.0 113.097 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -141.28 130.27 23.22 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.594 1.557 . . . . 0.0 112.015 160.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.78 39.76 30.75 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.439 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.64 13.57 74.76 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 120.606 -1.309 . . . . 0.0 115.124 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -123.21 128.14 49.6 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 122.816 -0.226 . . . . 0.0 111.55 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -74.92 153.5 38.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 118.819 -1.153 . . . . 0.0 112.7 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.2 mt -108.85 126.93 53.58 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.933 0.873 . . . . 0.0 112.686 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.84 134.83 47.66 Favored 'General case' 0 C--N 1.378 1.806 0 C-N-CA 124.668 1.187 . . . . 0.0 113.012 170.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -58.28 -32.7 68.65 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.344 1.858 . . . . 0.0 113.919 -170.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.57 -10.67 81.33 Favored Glycine 0 C--O 1.194 -2.364 0 C-N-CA 124.487 1.042 . . . . 0.0 111.659 -172.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -89.27 141.84 28.18 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 119.882 -1.952 . . . . 0.0 110.561 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 65.9 p -82.16 172.63 12.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 124.207 1.956 . . . . 0.0 116.094 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.85 -28.58 66.22 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.707 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -91.35 -6.97 52.18 Favored 'General case' 0 N--CA 1.507 2.4 0 C-N-CA 125.346 1.458 . . . . 0.0 110.595 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -94.8 -13.39 25.65 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 167.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -101.69 6.58 41.95 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 115.728 -2.082 . . . . 0.0 110.896 160.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 53.39 48.32 22.17 Favored 'General case' 0 N--CA 1.415 -2.216 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mm -88.43 114.32 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.705 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . 0.264 16.3 mm100 -100.08 162.87 12.7 Favored 'General case' 0 C--O 1.194 -1.818 0 O-C-N 118.185 -2.822 . . . . 0.0 107.997 166.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 155.77 2.55 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -174.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.273 45.2 mt-10 78.26 1.97 2.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -79.8 137.72 37.05 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.9 m -93.97 111.29 22.98 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 126.844 2.59 . . . . 0.0 106.855 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.41 148.39 22.28 Favored 'General case' 0 CA--C 1.572 1.824 0 CA-C-N 110.446 -3.07 . . . . 0.0 103.146 163.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.2 131.94 55.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.951 -1.718 . . . . 0.0 109.833 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -98.35 130.32 45.01 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.097 0.873 . . . . 0.0 112.745 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t -121.21 132.9 69.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.469 ' H ' HD22 ' A' ' 8' ' ' LEU . 69.1 mt -94.21 140.06 30.24 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.51 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -103.41 135.65 44.62 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 125.638 1.836 . . . . 0.0 108.043 -169.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.4 tp -125.95 -36.16 2.4 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.039 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -92.44 169.48 10.52 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 126.604 2.44 . . . . 0.0 109.906 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.91 150.64 31.67 Favored Glycine 0 N--CA 1.477 1.432 0 C-N-CA 117.536 -2.269 . . . . 0.0 108.982 166.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.523 ' C ' HH22 ' A' ' 42' ' ' ARG . . . . . . . . 0 CA--C 1.543 1.812 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.219 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.59 139.69 51.4 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 124.205 1.955 . . . . 0.0 115.707 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -128.07 167.28 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.874 0 O-C-N 120.927 -1.108 . . . . 0.0 109.058 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -125.48 130.11 51.14 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.277 -0.889 . . . . 0.0 110.207 -165.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -117.94 128.43 75.06 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 0 C-N-CA 125.194 1.398 . . . . 0.0 109.434 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -92.06 124.09 35.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 126.688 2.493 . . . . 0.0 108.746 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -82.56 -169.36 2.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.613 -161.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -20.46 64.71 Favored 'General case' 0 C--O 1.26 1.629 0 O-C-N 118.511 -2.618 . . . . 0.0 111.123 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 m -94.37 -23.93 17.59 Favored 'General case' 0 CA--C 1.585 2.311 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.48 -5.11 19.38 Favored Glycine 1 N--CA 1.524 4.533 0 C-N-CA 130.442 3.877 . . . . 0.0 113.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -70.04 157.98 36.52 Favored 'General case' 0 C--N 1.388 2.279 0 C-N-CA 125.785 1.634 . . . . 0.0 107.417 -171.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -111.37 121.57 45.57 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 123.252 1.501 . . . . 0.0 109.585 -172.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mm -122.03 135.22 62.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -107.44 126.51 52.59 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 mt -118.31 134.63 54.87 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -100.78 131.24 46.76 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 115.762 -2.066 . . . . 0.0 105.511 -172.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 m -159.87 155.59 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 125.306 1.629 . . . . 0.0 110.365 -160.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.25 31.7 mt-10 -93.34 145.06 29.31 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 102.902 -2.999 . . . . 0.0 102.902 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -43.89 -27.17 1.56 Allowed 'Trans proline' 1 C--N 1.26 -4.089 0 N-CA-C 121.262 3.524 . . . . 0.0 121.262 158.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p -79.86 -14.8 58.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 126.85 2.594 . . . . 0.0 108.994 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -66.45 142.25 57.63 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-O 124.18 1.943 . . . . 0.0 111.263 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.9 p -86.63 155.92 20.23 Favored 'General case' 0 CA--C 1.474 -1.978 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.1 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.65 -31.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 125.332 1.645 . . . . 0.0 110.608 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.0 -38.66 76.55 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.057 -2.277 . . . . 0.0 114.394 165.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -72.28 -42.2 65.82 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 124.28 1.032 . . . . 0.0 110.852 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -58.65 -35.4 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 CA-C-N 120.158 1.344 . . . . 0.0 110.846 173.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' HG22 ' A' ' 30' ' ' ILE . 53.9 mtmt -70.92 -32.57 69.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 119.413 -2.054 . . . . 0.0 116.35 170.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.68 95.28 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.521 1.763 . . . . 0.0 112.111 168.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -61.37 -42.36 98.59 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 116.276 -1.821 . . . . 0.0 115.099 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.444 HG22 ' HA ' ' A' ' 27' ' ' LYS . 8.2 tp -64.23 -36.44 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 167.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.23 -46.31 90.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 118.629 -2.544 . . . . 0.0 112.008 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -58.3 -48.3 80.94 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 125.099 1.5 . . . . 0.0 111.39 170.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -75.85 -34.74 60.07 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -134.97 4.69 3.27 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 119.19 -2.194 . . . . 0.0 113.001 -168.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 39.01 73.77 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-O 116.757 -2.135 . . . . 0.0 114.163 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.3 135.49 24.32 Favored Pre-proline 0 CA--C 1.598 2.793 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.586 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.22 110.9 0.61 Allowed 'Trans proline' 1 N--CA 1.542 4.367 0 C-N-CA 125.076 3.85 . . . . 0.0 108.462 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -72.11 -43.66 1.08 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 N-CA-C 116.429 1.665 . . . . 0.0 116.429 -161.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.23 -13.48 58.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 127.656 3.098 . . . . 0.0 112.975 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -79.1 -26.56 42.95 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 127.099 2.16 . . . . 0.0 114.069 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.93 154.29 18.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-O 124.47 2.081 . . . . 0.0 110.772 173.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -122.55 131.9 54.05 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-N 110.995 -2.821 . . . . 0.0 105.77 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 43' ' ' LEU . 16.6 mt -77.1 132.42 38.86 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 124.512 2.101 . . . . 0.0 113.856 169.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mm -109.1 137.23 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.991 -2.368 . . . . 0.0 106.718 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -132.41 134.03 44.63 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 123.281 1.515 . . . . 0.0 109.899 168.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.259 . . 50.03 35.01 8.98 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 118.304 -2.747 . . . . 0.0 115.46 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -12.5 58.97 Favored Glycine 0 C--N 1.361 1.939 0 C-N-CA 124.973 1.273 . . . . 0.0 110.641 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -130.03 135.14 47.93 Favored 'General case' 0 C--O 1.197 -1.667 0 CA-C-O 123.429 1.585 . . . . 0.0 112.784 -162.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.72 151.75 44.55 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 113.044 -1.889 . . . . 0.0 110.507 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -115.51 130.23 56.81 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 112.929 -1.942 . . . . 0.0 108.025 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.51 138.59 32.69 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.117 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -54.77 -46.38 74.39 Favored 'General case' 0 C--O 1.258 1.541 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -166.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.41 -10.18 86.41 Favored Glycine 0 CA--C 1.566 3.243 0 CA-C-N 119.212 0.914 . . . . 0.0 115.119 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -82.8 161.31 22.03 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 126.005 1.65 . . . . 0.0 111.797 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 p -103.19 168.74 8.98 Favored 'General case' 0 C--N 1.371 1.509 0 O-C-N 121.144 -0.973 . . . . 0.0 110.489 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.39 -31.9 72.43 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 119.509 -0.876 . . . . 0.0 112.646 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 t -74.78 -28.06 60.59 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 123.641 0.776 . . . . 0.0 112.369 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.94 -48.15 80.77 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.84 1.781 . . . . 0.0 110.133 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -82.45 -17.56 44.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 112.815 -1.993 . . . . 0.0 114.241 176.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 69.1 53.45 0.46 Allowed 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 125.51 1.524 . . . . 0.0 112.69 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -99.37 116.36 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 O-C-N 118.92 -2.362 . . . . 0.0 109.547 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -94.26 162.44 13.84 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 1' ' ' MET 0.33 0.0 OUTLIER -42.97 150.24 0.17 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 178.564 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.294 40.1 mt-10 65.35 21.68 11.96 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 113.096 -1.866 . . . . 0.0 115.554 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -86.79 148.71 25.29 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.6 m -99.2 118.16 35.29 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 124.82 2.247 . . . . 0.0 115.233 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mp -108.62 147.07 32.4 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 119.458 -2.026 . . . . 0.0 107.985 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -108.67 134.74 51.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.2 134.89 35.32 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.969 0.89 . . . . 0.0 111.13 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.25 1.4 p -151.24 162.06 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 119.711 -1.868 . . . . 0.0 110.712 169.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.4 tp -72.05 137.76 47.39 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.503 -1.373 . . . . 0.0 111.827 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -67.04 157.87 32.43 Favored 'General case' 0 N--CA 1.509 2.5 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 48.0 mt -80.52 142.01 34.59 Favored 'General case' 0 N--CA 1.426 -1.641 0 O-C-N 121.23 -0.919 . . . . 0.0 111.623 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -138.08 156.33 47.89 Favored 'General case' 0 C--N 1.394 2.518 0 O-C-N 125.236 1.585 . . . . 0.0 112.321 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.58 -178.25 12.13 Favored Glycine 0 C--N 1.375 2.732 0 CA-C-O 115.805 -2.664 . . . . 0.0 114.64 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 2.191 0 O-C-N 129.85 3.912 . . . . 0.0 108.072 175.721 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 116.961 -1.495 . . . . 0.0 108.667 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -85.08 137.7 32.88 Favored 'General case' 0 C--O 1.181 -2.513 0 CA-C-N 119.753 1.16 . . . . 0.0 112.184 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 pt -138.4 161.05 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.496 0 O-C-N 125.961 2.038 . . . . 0.0 111.426 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.2 m-85 -127.87 128.09 44.56 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 114.371 -1.286 . . . . 0.0 107.692 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.65 129.49 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -87.72 100.37 12.78 Favored 'General case' 0 C--N 1.282 -2.352 0 O-C-N 125.582 1.802 . . . . 0.0 109.322 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 21.4 p -65.76 160.52 22.8 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.582 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.66 -45.36 63.35 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 125.951 2.032 . . . . 0.0 112.98 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -87.28 -8.0 57.23 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -163.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 26.0 4.54 Favored Glycine 0 C--N 1.363 2.037 0 CA-C-O 117.847 -1.529 . . . . 0.0 115.133 163.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -100.48 133.77 44.42 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 118.314 1.057 . . . . 0.0 110.105 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -84.74 106.67 16.46 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 123.777 0.673 . . . . 0.0 111.174 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 mm -101.75 120.1 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -171.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -82.7 135.04 35.12 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.006 -1.683 . . . . 0.0 108.997 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.12 164.32 31.01 Favored 'General case' 0 C--N 1.382 1.996 0 O-C-N 124.291 0.994 . . . . 0.0 112.092 170.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -121.45 124.83 45.41 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 123.708 1.718 . . . . 0.0 108.289 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.3 t -126.73 133.07 69.39 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 CA-C-N 112.837 -1.983 . . . . 0.0 109.167 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -59.76 123.98 74.11 Favored Pre-proline 0 N--CA 1.411 -2.382 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.885 164.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -73.95 0.98 7.61 Favored 'Trans proline' 0 CA--C 1.48 -2.184 0 N-CA-C 115.194 1.19 . . . . 0.0 115.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.32 -1.09 42.55 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 118.72 -1.192 . . . . 0.0 111.282 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -76.1 168.97 19.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.511 -1.368 . . . . 0.0 108.782 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 34.2 p -81.2 153.84 26.98 Favored 'General case' 0 CA--C 1.567 1.602 0 O-C-N 124.947 1.404 . . . . 0.0 110.353 171.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 mm -52.08 -32.12 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.966 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.85 -32.05 60.19 Favored 'General case' 0 N--CA 1.524 3.228 0 CA-C-O 124.11 1.91 . . . . 0.0 112.069 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -57.3 -40.71 78.42 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 118.723 -2.485 . . . . 0.0 115.655 173.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.53 -42.06 92.55 Favored 'Isoleucine or valine' 0 C--N 1.376 1.725 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -63.2 -38.57 91.7 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.03 82.6 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -64.74 -44.42 90.19 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 116.315 -1.802 . . . . 0.0 111.606 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.4 -35.13 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 CA-C-N 120.094 1.316 . . . . 0.0 111.848 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -60.45 -43.64 96.66 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 116.837 -1.554 . . . . 0.0 112.329 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -64.43 -53.03 54.73 Favored 'General case' 0 C--N 1.396 2.608 0 C-N-CA 125.651 1.58 . . . . 0.0 112.195 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 10.0 mmpt? -55.6 -48.66 74.51 Favored 'General case' 0 C--O 1.274 2.353 0 CA-C-O 125.143 2.402 . . . . 0.0 115.147 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -121.93 -8.15 8.89 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -165.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.76 18.2 79.14 Favored Glycine 0 N--CA 1.487 2.096 0 CA-C-N 120.634 1.561 . . . . 0.0 115.781 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mt -88.98 121.81 69.4 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 115.551 -2.166 . . . . 0.0 111.449 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.67 136.95 72.97 Favored 'Trans proline' 0 N--CA 1.507 2.291 0 C-N-CA 122.819 2.346 . . . . 0.0 111.822 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -80.42 -19.29 9.09 Favored 'Trans proline' 0 N--CA 1.517 2.888 0 CA-C-N 122.846 2.052 . . . . 0.0 115.783 -171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -68.22 -34.03 75.5 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 116.337 1.976 . . . . 0.0 116.337 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -79.63 -11.67 59.86 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.694 -1.594 . . . . 0.0 113.248 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.413 ' HA ' HD23 ' A' ' 71' ' ' LEU . 69.1 mt-30 -78.39 139.46 38.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 123.403 1.573 . . . . 0.0 111.682 -174.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.534 ' HB2' HG23 ' A' ' 70' ' ' VAL . 23.0 mmt85 -124.12 121.79 36.09 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 169.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.5 mt -95.83 140.49 30.53 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 126.302 2.251 . . . . 0.0 108.007 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.73 129.21 68.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -134.77 137.19 43.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 101.573 -3.491 . . . . 0.0 101.573 162.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 33.73 68.03 0.18 Allowed 'General case' 0 C--N 1.366 1.284 0 N-CA-C 121.178 3.77 . . . . 0.0 121.178 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.89 -20.91 44.59 Favored Glycine 0 N--CA 1.484 1.843 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 161.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -128.97 138.83 52.19 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-N 118.766 1.283 . . . . 0.0 113.248 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -73.13 121.14 19.75 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.65 137.36 58.06 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 128.113 2.565 . . . . 0.0 107.214 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -99.23 137.96 36.99 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-O 123.061 1.41 . . . . 0.0 107.471 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -52.23 -44.34 64.77 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 119.635 3.198 . . . . 0.0 119.635 -166.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.63 87.49 Favored Glycine 0 N--CA 1.487 2.098 0 O-C-N 126.992 2.683 . . . . 0.0 118.137 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 mtt-85 -91.26 172.73 8.34 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 118.7 1.25 . . . . 0.0 108.638 -176.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 55.6 p -97.25 160.37 14.37 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 118.452 0.569 . . . . 0.0 110.61 177.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' H ' HD12 ' A' ' 56' ' ' LEU . 5.9 mp -57.39 -34.77 69.22 Favored 'General case' 0 CA--C 1.564 1.507 0 O-C-N 125.901 2.001 . . . . 0.0 113.049 162.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.3 t -60.13 -33.82 72.67 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-O 115.089 -2.386 . . . . 0.0 113.655 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -60.24 -44.5 95.18 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.35 -3.72 55.97 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 126.441 2.338 . . . . 0.0 113.601 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 m120 62.62 47.1 5.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 118.788 0.722 . . . . 0.0 111.989 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mm -76.46 123.57 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -81.01 151.75 28.28 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.356 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -59.27 138.01 57.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 127.193 2.808 . . . . 0.0 111.548 167.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.291 30.3 mt-10 67.63 20.66 9.57 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.712 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.1 m -58.49 145.84 37.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.239 -1.538 . . . . 0.0 115.116 166.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 54.5 m -110.78 121.55 45.61 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 118.412 -0.804 . . . . 0.0 108.841 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.83 140.04 49.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.03 0.932 . . . . 0.0 109.237 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -92.47 148.29 22.22 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-O 124.297 1.999 . . . . 0.0 111.309 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 24.9 tp -108.88 111.25 22.86 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 112.215 -2.266 . . . . 0.0 114.79 171.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.534 HG23 ' HB2' ' A' ' 42' ' ' ARG . 8.5 m -113.01 151.15 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 168.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 41' ' ' GLN . 91.6 mt -124.88 134.59 52.63 Favored 'General case' 0 C--O 1.193 -1.88 0 O-C-N 124.569 1.168 . . . . 0.0 111.502 -174.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -65.21 149.87 49.17 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 125.6 2.619 . . . . 0.0 110.451 157.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.36 151.25 38.23 Favored 'General case' 0 CA--C 1.58 2.115 0 CA-C-N 110.562 -3.017 . . . . 0.0 112.644 165.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -79.77 169.16 18.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.491 166.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 137.87 48.46 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-O 117.504 -1.72 . . . . 0.0 110.592 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.335 0 CA-C-O 116.441 -2.311 . . . . 0.0 109.288 179.08 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 N--CA 1.551 4.592 0 CA-C-O 122.682 1.23 . . . . 0.0 108.841 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.34 136.02 49.46 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 166.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.91 162.6 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.543 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -104.47 158.18 16.65 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.803 2.24 . . . . 0.0 109.491 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 67' ' ' LEU . 38.1 t -130.07 127.9 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 25.1 tptp -119.71 126.84 52.05 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.125 1.44 . . . . 0.0 107.368 -170.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -113.18 158.07 20.9 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.478 1.132 . . . . 0.0 111.459 -165.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.8 tp -74.23 -25.12 59.47 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.986 -1.071 . . . . 0.0 113.264 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -66.92 -18.01 65.18 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 169.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.57 38.43 3.46 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 116.206 1.242 . . . . 0.0 116.206 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -121.46 141.9 50.56 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -106.38 117.24 33.52 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 167.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.2 mm -106.91 134.1 49.56 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -98.98 125.11 44.36 Favored 'General case' 0 C--N 1.366 1.297 0 CA-C-O 123.722 1.725 . . . . 0.0 113.201 169.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 26' ' ' VAL . 1.7 pt? -140.46 139.2 35.13 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 117.772 -3.08 . . . . 0.0 109.437 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.49 118.02 35.79 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 112.058 -2.337 . . . . 0.0 111.449 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.83 163.6 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 124.9 1.375 . . . . 0.0 109.736 -161.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -116.44 160.73 34.96 Favored Pre-proline 0 C--O 1.192 -1.923 0 CA-C-O 115.916 -1.993 . . . . 0.0 111.181 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -67.63 -19.42 48.03 Favored 'Trans proline' 2 N--CA 1.544 4.49 0 N-CA-C 116.1 1.538 . . . . 0.0 116.1 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.2 p -79.71 -22.06 43.84 Favored 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 116.128 -1.891 . . . . 0.0 110.791 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.69 140.21 47.94 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 121.191 1.814 . . . . 0.0 111.781 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 p -89.78 158.28 17.57 Favored 'General case' 0 C--N 1.379 1.884 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.48 -31.88 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 CA-C-N 112.968 -1.924 . . . . 0.0 110.127 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.21 -53.08 55.92 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 161.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -57.67 -45.05 86.08 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.604 HG13 HD11 ' A' ' 15' ' ' LEU . 60.8 t -61.1 -39.9 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 CA-C-N 119.199 0.909 . . . . 0.0 113.312 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.45 -42.06 95.39 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 169.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' A' ' 31' ' ' GLN . . . -65.53 -36.67 84.52 Favored 'General case' 0 CA--C 1.576 1.951 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 175.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -63.35 -46.11 88.07 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 167.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.4 HD11 HD22 ' A' ' 15' ' ' LEU . 25.4 mm -69.39 -35.47 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.223 0 O-C-N 125.182 1.551 . . . . 0.0 111.012 174.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 1.7 tp-100 -56.51 -43.57 79.87 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.045 167.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -67.93 -45.95 72.85 Favored 'General case' 0 C--O 1.252 1.205 0 O-C-N 124.502 1.126 . . . . 0.0 113.49 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -66.13 -45.69 80.2 Favored 'General case' 0 C--O 1.257 1.464 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -119.74 -10.85 9.48 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.09 20.16 61.4 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 117.057 1.583 . . . . 0.0 117.057 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.525 HG21 HD21 ' A' ' 71' ' ' LEU . 18.3 mt -90.37 130.17 42.66 Favored Pre-proline 0 CA--C 1.577 1.987 0 CA-C-N 119.53 1.665 . . . . 0.0 107.073 -175.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -53.23 137.18 63.58 Favored 'Trans proline' 0 N--CA 1.528 3.553 0 C-N-CA 124.48 3.453 . . . . 0.0 111.077 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -87.07 15.2 2.23 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 CA-C-N 120.895 1.356 . . . . 0.0 110.429 -170.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -106.79 -23.61 12.34 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 125.823 1.649 . . . . 0.0 111.055 168.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -77.93 -37.24 48.14 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.86 -0.525 . . . . 0.0 109.822 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -48.55 133.01 17.06 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 118.548 2.795 . . . . 0.0 118.548 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -131.24 113.44 13.84 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 118.513 -2.617 . . . . 0.0 107.034 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -99.02 132.39 44.36 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-O 121.985 0.898 . . . . 0.0 111.572 -172.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mt -122.69 136.35 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.375 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -129.94 109.44 10.89 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.094 -2.321 . . . . 0.0 110.159 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.75 35.59 22.15 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.16 -8.59 30.71 Favored Glycine 0 C--N 1.376 2.78 0 N-CA-C 120.765 3.066 . . . . 0.0 120.765 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -78.03 124.91 28.59 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.333 1.453 . . . . 0.0 112.98 171.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -71.13 113.3 8.03 Favored 'General case' 0 C--O 1.26 1.639 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.06 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -79.67 116.45 19.87 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-O 122.204 1.002 . . . . 0.0 112.535 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -71.96 135.11 46.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.294 -1.504 . . . . 0.0 114.739 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.84 -44.93 82.6 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 -167.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.21 12.75 42.89 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-N 120.513 1.506 . . . . 0.0 112.417 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -89.43 147.26 24.12 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.975 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -88.56 171.4 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 125.646 1.841 . . . . 0.0 111.379 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -79.76 -21.28 44.62 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 115.719 -2.086 . . . . 0.0 109.529 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -55.73 -48.03 75.9 Favored 'General case' 0 C--N 1.376 1.744 0 O-C-N 125.383 1.677 . . . . 0.0 112.411 164.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -56.84 -41.62 78.21 Favored 'General case' 0 N--CA 1.513 2.701 0 C-N-CA 126.939 2.096 . . . . 0.0 114.776 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -79.54 -12.35 59.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 167.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.259 23.3 t-20 54.78 58.85 4.48 Favored 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 125.522 1.764 . . . . 0.0 114.024 -173.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -95.89 119.17 43.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -74.87 160.76 30.24 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 124.863 1.352 . . . . 0.0 110.781 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 148.84 10.24 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 0.0 113.539 167.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.346 62.7 mt-10 68.88 3.43 3.98 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 122.052 2.206 . . . . 0.0 116.401 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -63.42 155.49 28.86 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 125.082 1.488 . . . . 0.0 114.539 163.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.6 m -123.78 113.41 18.53 Favored 'General case' 0 C--N 1.374 1.639 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.021 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' HB2' HG22 ' A' ' 5' ' ' VAL . 78.1 mt -85.55 150.42 24.68 Favored 'General case' 0 N--CA 1.42 -1.931 0 O-C-N 121.284 -0.885 . . . . 0.0 108.636 171.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -104.15 149.3 25.37 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.384 -1.447 . . . . 0.0 107.782 172.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.69 128.52 46.82 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 124.839 1.337 . . . . 0.0 110.846 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.83 154.62 34.53 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 173.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 36' ' ' ILE . 68.9 mt -108.17 159.47 16.58 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 118.308 -1.357 . . . . 0.0 109.661 -171.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -102.22 105.38 16.04 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 167.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.88 138.0 58.11 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 125.621 1.826 . . . . 0.0 114.117 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.285 71.6 mtt-85 -62.23 151.76 35.28 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 118.743 2.868 . . . . 0.0 118.743 -169.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 123.55 -2.92 9.48 Favored Glycine 0 CA--C 1.565 3.214 0 CA-C-N 114.006 -1.452 . . . . 0.0 113.576 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.447 0 N-CA-C 105.398 -3.081 . . . . 0.0 105.398 157.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.548 4.429 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -95.31 136.15 36.02 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.1 pt -126.78 158.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -124.74 136.14 53.61 Favored 'General case' 0 C--O 1.198 -1.626 0 CA-C-O 117.685 -1.15 . . . . 0.0 108.303 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.8 t -125.55 133.43 69.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -91.07 119.77 31.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.734 1.254 . . . . 0.0 112.11 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.4 p -101.02 176.25 5.33 Favored 'General case' 0 C--N 1.373 1.603 0 CA-C-N 113.92 -1.491 . . . . 0.0 111.883 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -50.68 -36.22 34.73 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 119.122 3.008 . . . . 0.0 119.122 -160.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.3 p -81.47 -8.33 59.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 116.202 -1.856 . . . . 0.0 115.365 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.3 41.97 Favored Glycine 0 N--CA 1.494 2.551 0 CA-C-N 121.496 1.953 . . . . 0.0 113.216 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -58.39 163.53 3.02 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-O 122.808 1.29 . . . . 0.0 113.988 168.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -109.21 129.04 55.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 119.024 -2.297 . . . . 0.0 110.147 171.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.7 mm -101.25 127.25 54.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-O 122.593 1.187 . . . . 0.0 112.111 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -95.59 135.32 37.41 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 120.214 -1.553 . . . . 0.0 111.191 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.7 mt -131.43 126.27 34.66 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.101 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -85.68 118.66 25.32 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.21 -2.181 . . . . 0.0 112.871 169.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.2 m -137.8 165.54 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.773 0 CA-C-N 111.459 -2.61 . . . . 0.0 113.128 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.03 156.67 44.97 Favored Pre-proline 0 N--CA 1.494 1.755 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.54 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -66.28 -15.04 46.82 Favored 'Trans proline' 0 N--CA 1.507 2.272 0 CA-C-N 121.501 1.572 . . . . 0.0 113.27 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -99.1 10.78 40.76 Favored 'General case' 0 N--CA 1.409 -2.475 0 O-C-N 126.589 2.431 . . . . 0.0 113.292 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -90.1 117.98 29.29 Favored 'General case' 0 C--N 1.376 1.726 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.8 p -63.74 151.24 42.61 Favored 'General case' 0 C--O 1.191 -1.989 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.73 -23.21 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 CA-C-O 123.162 1.458 . . . . 0.0 113.638 173.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.83 -43.73 73.27 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 119.185 -2.197 . . . . 0.0 116.645 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -71.03 -35.67 72.07 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-O 116.164 -1.874 . . . . 0.0 110.823 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.0 t -58.09 -46.46 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 125.101 1.501 . . . . 0.0 109.737 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -66.09 -42.78 88.85 Favored 'General case' 1 N--CA 1.551 4.609 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 169.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.34 47.1 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.283 -0.885 . . . . 0.0 111.238 166.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -65.1 -42.44 94.02 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.78 -26.47 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 CA-C-N 119.727 1.149 . . . . 0.0 111.665 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.52 82.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.858 -1.151 . . . . 0.0 112.363 169.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -64.06 -52.73 57.99 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 118.619 -1.233 . . . . 0.0 113.93 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -66.87 -49.19 66.45 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -172.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -117.35 -21.53 8.66 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 120.848 1.658 . . . . 0.0 108.183 -167.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.28 3.04 31.31 Favored Glycine 0 C--N 1.377 2.85 0 O-C-N 119.664 -1.898 . . . . 0.0 114.349 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mm -68.98 127.44 93.11 Favored Pre-proline 0 CA--C 1.552 1.029 0 CA-C-O 116.719 -1.61 . . . . 0.0 112.515 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -52.39 138.61 56.24 Favored 'Trans proline' 0 CA--C 1.571 2.351 0 CA-C-N 120.539 1.228 . . . . 0.0 114.31 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.427 35.4 Cg_exo -49.1 -42.63 38.68 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-O 113.078 -2.967 . . . . 0.0 117.75 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -79.42 -15.66 57.46 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.375 1.898 . . . . 0.0 112.738 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -91.28 18.21 7.35 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.272 0.942 . . . . 0.0 113.184 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -99.47 121.24 40.87 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 120.469 -1.395 . . . . 0.0 110.453 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' HB2' HG23 ' A' ' 70' ' ' VAL . 12.5 mmm180 -125.2 116.03 21.36 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 169.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.47 125.16 51.57 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -165.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.46 HD11 HG22 ' A' ' 70' ' ' VAL . 3.9 mp -111.58 145.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.231 -0.918 . . . . 0.0 109.972 -176.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.99 114.24 9.57 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 162.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.57 58.51 3.82 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -1.94 64.24 Favored Glycine 0 N--CA 1.493 2.469 0 CA-C-N 114.468 -1.242 . . . . 0.0 113.906 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -106.83 110.53 22.71 Favored 'General case' 0 C--N 1.383 2.041 0 CA-C-N 118.717 1.258 . . . . 0.0 109.057 169.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -63.21 122.35 15.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 166.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 59' ' ' TYR . 47.4 mt -91.79 123.13 34.94 Favored 'General case' 0 N--CA 1.518 2.97 0 O-C-N 124.371 1.045 . . . . 0.0 109.712 -168.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.255 17.4 mt-10 -92.25 142.61 27.29 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -167.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.64 -40.15 74.92 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -161.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 -7.04 88.5 Favored Glycine 0 N--CA 1.482 1.76 0 O-C-N 119.63 -1.918 . . . . 0.0 113.994 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -80.33 152.72 28.81 Favored 'General case' 0 CA--C 1.563 1.443 0 O-C-N 125.201 1.177 . . . . 0.0 113.839 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -93.66 173.7 7.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 123.718 1.723 . . . . 0.0 115.2 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -72.79 -24.5 60.93 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.979 -1.7 . . . . 0.0 112.126 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.4 p -80.02 -16.13 55.77 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.602 172.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.05 -21.99 60.69 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 120.549 1.522 . . . . 0.0 111.211 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.443 ' CD1' HD22 ' A' ' 50' ' ' LEU . 70.4 m-85 -111.79 16.17 20.58 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 117.019 -1.467 . . . . 0.0 108.133 174.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m120 43.34 48.31 5.86 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 126.048 1.739 . . . . 0.0 114.238 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.259 19.3 mt -78.82 126.51 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 O-C-N 119.763 -1.835 . . . . 0.0 110.161 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -88.62 166.86 13.83 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 119.291 -2.13 . . . . 0.0 111.323 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -53.73 145.52 15.5 Favored 'General case' 0 N--CA 1.523 3.196 0 O-C-N 119.539 -1.976 . . . . 0.0 115.306 170.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 66.4 11.61 8.12 Favored 'General case' 0 C--N 1.389 2.283 0 CA-C-O 117.277 -1.344 . . . . 0.0 113.686 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -71.27 162.46 29.4 Favored 'General case' 0 N--CA 1.539 3.986 0 C-N-CA 127.568 2.347 . . . . 0.0 107.494 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -119.06 126.86 52.68 Favored 'General case' 0 C--O 1.196 -1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 111.317 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.7 mp -100.86 159.93 14.79 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 113.057 -1.883 . . . . 0.0 109.217 173.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -123.58 126.43 46.64 Favored 'General case' 0 C--N 1.385 2.152 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.11 138.19 31.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 121.195 0.521 . . . . 0.0 110.42 169.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.46 HG22 HD11 ' A' ' 44' ' ' ILE . 23.7 m -122.29 153.9 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 156.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.5 tp -84.65 139.19 32.22 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -87.45 121.11 29.46 Favored 'General case' 0 C--N 1.378 1.81 0 O-C-N 126.01 2.069 . . . . 0.0 109.484 161.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.8 mt -89.46 150.44 22.49 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 112.46 -2.155 . . . . 0.0 110.005 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -82.2 163.33 21.97 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -170.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.6 22.65 76.72 Favored Glycine 0 N--CA 1.426 -1.984 0 CA-C-O 116.15 -2.472 . . . . 0.0 114.201 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 CA--C 1.598 5.245 0 CA-C-O 124.438 2.132 . . . . 0.0 116.571 169.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.641 0 CA-C-O 117.709 -1.138 . . . . 0.0 113.992 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -101.71 136.82 40.91 Favored 'General case' 0 CA--C 1.479 -1.785 0 CA-C-O 116.81 -1.567 . . . . 0.0 108.778 -170.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.88 171.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' HB2' ' HA ' ' A' ' 66' ' ' THR . 20.4 m-85 -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 120.65 -1.281 . . . . 0.0 109.818 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.48 118.75 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 CA-C-O 123.602 1.668 . . . . 0.0 110.438 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -110.84 119.58 39.55 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 111.385 -2.643 . . . . 0.0 113.518 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.0 p -76.99 166.97 22.61 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.6 17.12 4.86 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.928 0.871 . . . . 0.0 112.099 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -125.41 22.56 7.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 112.317 -2.22 . . . . 0.0 111.738 170.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.83 77.43 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 119.117 2.407 . . . . 0.0 119.117 164.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -107.55 116.74 32.48 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.909 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -98.79 120.0 38.49 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 127.679 3.112 . . . . 0.0 107.419 170.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.79 141.32 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.08 0 CA-C-N 111.828 -2.442 . . . . 0.0 110.393 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -94.88 126.58 40.31 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 125.653 1.846 . . . . 0.0 112.261 164.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.45 141.48 52.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -171.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -103.24 112.18 24.93 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.16 151.36 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -97.09 145.73 30.11 Favored Pre-proline 0 C--O 1.199 -1.57 0 CA-C-O 112.898 -3.429 . . . . 0.0 105.689 165.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.47 -4.64 15.73 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 CA-C-N 124.364 2.594 . . . . 0.0 117.577 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -97.11 -5.06 38.23 Favored 'General case' 0 C--O 1.186 -2.28 0 CA-C-N 122.457 2.389 . . . . 0.0 109.818 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.1 141.68 58.68 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 127.101 3.334 . . . . 0.0 111.989 166.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.4 p -71.74 151.46 43.55 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 117.483 -3.261 . . . . 0.0 109.191 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.75 -32.69 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 123.828 3.013 . . . . 0.0 113.688 174.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.38 -33.36 75.55 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.813 2.551 . . . . 0.0 117.585 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 19.6 t-20 -55.49 -42.86 75.0 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 126.093 2.121 . . . . 0.0 110.184 159.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.296 56.5 t -63.51 -39.95 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 124.323 3.238 . . . . 0.0 115.089 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 30' ' ' ILE . 30.1 mtmt -57.91 -37.33 73.84 Favored 'General case' 0 CA--C 1.585 2.32 0 CA-C-O 122.789 1.28 . . . . 0.0 111.215 168.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -60.25 -39.55 87.14 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 174.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -67.12 -36.74 82.56 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 165.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 27' ' ' LYS . 59.9 mt -61.38 -35.65 67.88 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 O-C-N 124.668 1.23 . . . . 0.0 113.528 171.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.25 -38.61 80.49 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 174.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.55 -21.55 66.41 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 171.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -100.32 -47.28 4.98 Favored 'General case' 0 N--CA 1.518 2.968 0 O-C-N 120.897 -1.127 . . . . 0.0 110.648 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -116.9 -8.02 11.35 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 115.313 -2.28 . . . . 0.0 110.668 -170.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.32 19.69 73.76 Favored Glycine 0 C--N 1.376 2.762 0 N-CA-C 120.861 3.104 . . . . 0.0 120.861 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mm -108.57 130.07 23.21 Favored Pre-proline 0 C--O 1.202 -1.413 0 CA-C-O 116.373 -1.775 . . . . 0.0 111.596 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -54.4 142.37 69.79 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.438 2.092 . . . . 0.0 111.304 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -45.2 4.95 Favored 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 126.904 5.069 . . . . 0.0 115.83 169.415 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -65.63 -14.36 61.02 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -101.67 0.08 35.51 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 169.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -108.04 144.48 35.32 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -146.99 131.23 17.44 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.167 169.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.22 148.29 24.43 Favored 'General case' 0 N--CA 1.419 -2.013 0 C-N-CA 125.63 1.572 . . . . 0.0 111.43 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -125.0 131.12 72.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.311 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -139.27 133.61 31.5 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.286 . . 42.62 44.71 3.76 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.17 25.98 67.4 Favored Glycine 0 N--CA 1.472 1.035 0 O-C-N 125.553 1.783 . . . . 0.0 113.043 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.361 23.0 pttm -156.83 155.57 31.73 Favored 'General case' 0 N--CA 1.534 3.729 0 O-C-N 119.571 -2.135 . . . . 0.0 110.794 168.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -46.45 137.73 6.33 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 128.342 2.657 . . . . 0.0 115.864 171.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.7 mt -85.79 124.96 32.88 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 167.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.81 103.03 4.21 Favored 'General case' 0 C--N 1.397 2.656 0 O-C-N 120.328 -1.482 . . . . 0.0 111.056 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -15.05 -65.47 0.01 OUTLIER 'General case' 0 C--O 1.256 1.424 0 C-N-CA 127.984 2.514 . . . . 0.0 116.627 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.65 -23.12 70.4 Favored Glycine 0 CA--C 1.546 1.972 0 N-CA-C 117.851 1.9 . . . . 0.0 117.851 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -68.8 163.14 24.83 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.85 -1.97 . . . . 0.0 113.531 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.6 p -96.23 159.15 15.1 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.07 1.891 . . . . 0.0 115.462 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.45 -34.87 73.06 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 119.715 -1.866 . . . . 0.0 111.643 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.7 t -61.25 -40.51 94.32 Favored 'General case' 0 N--CA 1.51 2.557 0 C-N-CA 126.699 1.999 . . . . 0.0 106.215 167.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -64.04 -36.05 82.71 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 121.434 1.924 . . . . 0.0 113.416 -175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.95 5.91 50.18 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 40.45 53.54 2.97 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 -166.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.1 mt -84.55 109.92 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.275 1.43 . . . . 0.0 111.932 -175.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -94.28 166.66 11.99 Favored 'General case' 0 C--N 1.379 1.877 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -168.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -44.01 131.36 5.81 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 173.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 68.87 21.29 7.66 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.493 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.5 m -71.6 137.34 47.9 Favored 'General case' 0 C--N 1.38 1.901 0 O-C-N 120.561 -1.337 . . . . 0.0 110.431 161.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.466 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 57.0 m -101.92 112.57 25.24 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 -176.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.99 123.67 48.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.64 1.213 . . . . 0.0 110.181 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -71.85 136.38 46.96 Favored 'General case' 0 C--N 1.362 1.15 0 O-C-N 120.036 -1.665 . . . . 0.0 107.734 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -112.37 127.2 55.94 Favored 'General case' 0 N--CA 1.518 2.927 0 O-C-N 127.219 2.824 . . . . 0.0 107.024 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.6 t -118.41 127.94 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.967 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 71' ' ' LEU . 45.2 mt -87.31 141.18 28.83 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-N 112.215 -2.266 . . . . 0.0 109.599 169.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -90.99 100.18 13.09 Favored 'General case' 0 C--N 1.383 2.039 0 C-N-CA 125.558 1.543 . . . . 0.0 110.997 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 73' ' ' LEU . 4.2 mm? -107.99 -11.13 15.38 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 170.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -129.81 164.26 24.46 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 122.495 1.141 . . . . 0.0 113.284 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.35 139.59 8.7 Favored Glycine 0 N--CA 1.489 2.211 0 CA-C-N 113.459 -1.701 . . . . 0.0 117.032 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 3.058 0 CA-C-O 116.488 -2.285 . . . . 0.0 115.008 174.819 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 121.843 0.83 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -89.74 149.89 22.54 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 172.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.293 2.2 pp -141.23 154.07 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.076 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.788 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -111.25 136.72 49.92 Favored 'General case' 0 N--CA 1.429 -1.513 0 O-C-N 120.512 -1.367 . . . . 0.0 111.57 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.43 134.56 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -97.97 114.65 26.83 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 112.503 -2.135 . . . . 0.0 107.92 170.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 44.8 p -75.07 163.81 27.19 Favored 'General case' 0 CA--C 1.589 2.465 0 O-C-N 117.061 -3.524 . . . . 0.0 114.617 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.86 -30.3 68.88 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 124.907 1.283 . . . . 0.0 113.319 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 m -68.72 -32.53 72.39 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-O 118.348 -0.834 . . . . 0.0 112.058 173.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.3 30.01 4.59 Favored Glycine 0 CA--C 1.543 1.825 0 O-C-N 125.728 1.893 . . . . 0.0 113.454 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -96.09 143.38 27.28 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-O 121.363 0.601 . . . . 0.0 109.384 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -102.19 121.61 42.58 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 121.195 -0.941 . . . . 0.0 108.506 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.7 mm -101.39 139.14 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -107.9 128.97 55.09 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mp -129.14 132.62 47.37 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.594 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -89.15 116.15 27.2 Favored 'General case' 0 C--N 1.375 1.717 0 CA-C-O 123.988 1.851 . . . . 0.0 112.535 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -143.28 162.82 16.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.742 0 CA-C-O 122.691 1.234 . . . . 0.0 109.702 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -95.76 156.13 37.68 Favored Pre-proline 0 C--O 1.205 -1.247 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.345 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.307 41.0 Cg_endo -60.64 -13.96 28.72 Favored 'Trans proline' 0 C--N 1.291 -2.463 0 CA-C-O 116.98 -1.342 . . . . 0.0 115.125 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -102.64 -0.26 32.15 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 122.981 2.628 . . . . 0.0 106.562 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -73.46 147.28 44.3 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 121.808 2.094 . . . . 0.0 109.85 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 59.3 p -88.28 165.66 14.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 120.212 1.369 . . . . 0.0 112.988 -176.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -60.22 -38.38 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.813 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.36 -50.12 63.01 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.231 -0.918 . . . . 0.0 111.56 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -64.53 -34.41 78.17 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 119.938 -1.727 . . . . 0.0 113.384 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.6 t -57.4 -51.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.746 0 CA-C-O 121.854 0.835 . . . . 0.0 109.571 170.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.46 -32.23 66.74 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 117.753 -3.092 . . . . 0.0 116.296 168.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.82 95.78 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.174 -1.811 . . . . 0.0 114.725 166.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -58.83 -43.5 90.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 118.923 0.783 . . . . 0.0 111.66 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mm -61.98 -36.83 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.038 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HA ' ' H ' ' A' ' 36' ' ' ILE . 32.2 tp60 -63.4 -48.81 76.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 125.384 1.677 . . . . 0.0 111.836 174.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -61.87 -43.65 98.41 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -88.49 -32.14 18.38 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 116.499 -1.715 . . . . 0.0 111.247 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -113.31 -4.93 13.61 Favored 'General case' 0 C--N 1.374 1.659 0 CA-C-O 115.073 -2.394 . . . . 0.0 115.059 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.23 58.15 13.83 Favored Glycine 0 C--O 1.192 -2.524 0 O-C-N 125.776 1.922 . . . . 0.0 110.786 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.454 ' H ' ' HA ' ' A' ' 31' ' ' GLN . 9.8 mt -128.45 112.78 19.49 Favored Pre-proline 0 CA--C 1.587 2.393 0 CA-C-N 118.236 1.018 . . . . 0.0 110.12 -172.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -35.01 117.59 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.679 0 C-N-CA 124.272 3.315 . . . . 0.0 116.307 174.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 9.8 Cg_endo -65.87 -27.99 50.98 Favored 'Trans proline' 0 CA--C 1.493 -1.537 0 O-C-N 122.804 0.897 . . . . 0.0 111.22 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.33 -23.14 57.23 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.899 -1.125 . . . . 0.0 111.048 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -91.21 -13.41 32.89 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -69.0 125.73 27.57 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.751 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -112.34 113.08 25.11 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 125.042 1.464 . . . . 0.0 111.835 162.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' A' ' 69' ' ' LEU . 50.8 mt -92.79 130.17 38.49 Favored 'General case' 0 C--O 1.25 1.111 0 CA-C-O 122.737 1.256 . . . . 0.0 109.332 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' C ' ' A' ' 43' ' ' LEU . 3.9 mm -118.55 128.89 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.176 -176.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -133.26 114.69 14.07 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.4 29.27 8.54 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -168.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.34 8.18 81.6 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-O 117.762 -1.577 . . . . 0.0 115.566 176.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -121.22 128.57 52.55 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.32 -3.585 . . . . 0.0 101.32 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.69 146.35 54.9 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.364 1.665 . . . . 0.0 111.365 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -112.41 149.12 32.98 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 125.065 1.478 . . . . 0.0 112.071 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -92.24 145.14 24.72 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 123.951 1.834 . . . . 0.0 115.583 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.91 -35.58 75.18 Favored 'General case' 0 C--N 1.372 1.575 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.36 -15.99 79.0 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.253 1.6 mpp_? -86.23 165.16 16.71 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 14.2 p -110.77 167.82 9.94 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.006 -1.906 . . . . 0.0 109.89 -176.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.16 -35.61 79.34 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 111.796 -2.456 . . . . 0.0 111.627 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 m -72.29 -26.93 62.16 Favored 'General case' 0 C--N 1.367 1.369 0 CA-C-O 114.406 -2.711 . . . . 0.0 110.241 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.17 -17.93 65.03 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-N 123.211 2.732 . . . . 0.0 112.636 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -112.11 11.91 20.46 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 116.728 -1.606 . . . . 0.0 113.28 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.6 m120 53.32 59.44 4.39 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 127.551 3.032 . . . . 0.0 114.134 -169.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.0 mt -92.3 118.49 37.96 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.445 0 O-C-N 120.135 -1.603 . . . . 0.0 110.838 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -83.96 170.92 13.49 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 125.227 1.579 . . . . 0.0 112.135 171.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.712 3.149 . . . . 0.0 111.408 170.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 44.8 mt-10 81.77 14.75 0.53 Allowed 'General case' 0 C--O 1.259 1.597 0 C-N-CA 130.538 3.535 . . . . 0.0 108.587 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -68.07 142.53 55.81 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 117.554 -1.658 . . . . 0.0 111.065 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 m -98.28 117.8 33.49 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 113.58 -1.645 . . . . 0.0 114.889 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.67 166.35 11.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -129.75 144.75 51.45 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 124.843 1.257 . . . . 0.0 109.485 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 52.2 tp -123.34 134.83 53.98 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.776 1.751 . . . . 0.0 108.901 -171.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.09 114.52 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.587 0 N-CA-C 101.754 -3.425 . . . . 0.0 101.754 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 tp -93.23 132.2 37.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 125.307 1.629 . . . . 0.0 106.615 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -101.76 154.77 18.6 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-O 123.823 1.773 . . . . 0.0 113.575 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.43 141.95 37.92 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-O 125.183 2.42 . . . . 0.0 114.194 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -66.48 128.06 34.74 Favored 'General case' 0 N--CA 1.529 3.484 0 O-C-N 119.214 -2.179 . . . . 0.0 111.949 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.67 -132.32 3.27 Favored Glycine 0 C--O 1.197 -2.183 0 O-C-N 120.141 -1.599 . . . . 0.0 111.877 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.409 0 CA-C-O 114.672 -3.293 . . . . 0.0 112.796 -175.573 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.198 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -93.93 137.23 33.38 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.742 0.782 . . . . 0.0 109.095 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.66 162.26 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 122.61 1.195 . . . . 0.0 108.105 166.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -107.63 145.09 33.78 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.381 -1.449 . . . . 0.0 110.083 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -123.23 112.7 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.894 0 O-C-N 120.828 -1.17 . . . . 0.0 109.686 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.94 124.94 34.71 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -80.21 166.68 21.18 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.93 -35.5 78.53 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 115.598 -2.144 . . . . 0.0 112.793 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -67.95 -32.01 72.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.101 2.16 . . . . 0.0 112.339 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.56 8.81 6.17 Favored Glycine 0 CA--C 1.502 -0.738 0 O-C-N 121.06 -1.025 . . . . 0.0 113.07 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -82.88 164.15 20.68 Favored 'General case' 0 C--O 1.252 1.233 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.7 m -115.78 131.13 57.03 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mm -111.38 132.42 59.97 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 CA-C-N 121.782 2.083 . . . . 0.0 108.717 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -100.55 134.85 42.9 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -150.8 157.58 43.11 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -93.57 134.06 36.24 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.156 -172.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 164.91 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 CA-C-N 120.367 1.439 . . . . 0.0 111.136 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.63 166.98 12.19 Favored Pre-proline 0 CA--C 1.568 1.671 0 O-C-N 125.925 2.016 . . . . 0.0 106.969 171.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -67.38 -31.12 35.46 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 117.719 -1.054 . . . . 0.0 110.36 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 p -85.92 -0.7 56.1 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -73.06 148.95 43.57 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-O 125.079 2.371 . . . . 0.0 111.28 165.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 p -100.11 165.8 11.33 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 112.657 -2.065 . . . . 0.0 109.815 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.01 -32.7 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.224 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -50.35 -39.55 46.57 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 115.038 -2.41 . . . . 0.0 114.146 162.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -69.71 -32.04 70.41 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 123.71 2.959 . . . . 0.0 111.251 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.79 -46.25 94.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.68 -43.39 89.92 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.42 86.3 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.082 0.855 . . . . 0.0 113.01 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -64.08 -37.37 87.19 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.12 -36.55 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 119.578 -1.951 . . . . 0.0 111.67 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -46.96 -54.99 8.89 Favored 'General case' 0 C--N 1.394 2.513 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 167.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.258 30.3 m-20 -58.08 -51.16 70.85 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -62.37 -44.06 97.35 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 126.57 1.948 . . . . 0.0 115.122 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -120.6 -5.89 9.73 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 121.488 1.949 . . . . 0.0 112.786 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.63 52.36 30.43 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-O 117.006 -1.997 . . . . 0.0 116.918 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.33 114.34 31.88 Favored Pre-proline 0 CA--C 1.562 1.421 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -59.9 141.08 95.87 Favored 'Trans proline' 0 N--CA 1.508 2.34 0 N-CA-C 117.092 1.92 . . . . 0.0 117.092 -168.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -70.73 -21.4 29.03 Favored 'Trans proline' 0 C--N 1.296 -2.213 0 N-CA-C 117.732 2.166 . . . . 0.0 117.732 -170.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -77.77 -17.36 57.6 Favored 'General case' 0 C--O 1.264 1.844 0 CA-C-N 120.285 1.402 . . . . 0.0 112.047 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.86 -18.58 37.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.554 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -89.62 149.53 22.78 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 123.002 1.382 . . . . 0.0 111.66 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -148.74 142.87 25.99 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 167.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.274 62.1 mt -112.43 154.3 26.04 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 125.521 2.582 . . . . 0.0 112.982 -174.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -139.72 139.53 37.82 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 109.85 -3.341 . . . . 0.0 104.766 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -132.41 115.48 15.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 119.715 -1.865 . . . . 0.0 107.433 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.307 . . 65.37 33.6 8.85 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 120.865 3.654 . . . . 0.0 120.865 162.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.03 -6.58 37.21 Favored Glycine 0 C--N 1.362 1.989 0 CA-C-O 117.929 -1.484 . . . . 0.0 114.946 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.47 146.32 30.51 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.936 2.868 . . . . 0.0 113.996 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.39 154.47 41.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 119.565 -1.96 . . . . 0.0 112.635 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -121.09 132.68 55.02 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.607 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -74.79 144.48 43.51 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.057 1.343 . . . . 0.0 110.255 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -58.71 -40.72 84.5 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 -18.58 77.95 Favored Glycine 0 C--N 1.359 1.809 0 N-CA-C 118.525 2.17 . . . . 0.0 118.525 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -70.08 152.23 44.6 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.654 1.582 . . . . 0.0 114.053 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -95.39 166.45 11.87 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 118.643 -1.223 . . . . 0.0 109.54 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.79 -28.69 70.04 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.631 2.157 . . . . 0.0 115.429 173.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -75.75 -31.33 59.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.086 -1.416 . . . . 0.0 113.663 173.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 116.222 -1.847 . . . . 0.0 114.641 165.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -67.26 -27.43 67.2 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.786 167.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.257 35.4 m120 67.7 49.98 0.92 Allowed 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.692 1.133 . . . . 0.0 110.867 -167.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -89.5 113.62 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.187 0 CA-C-O 125.112 2.387 . . . . 0.0 112.208 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -64.65 155.8 32.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 111.577 -2.556 . . . . 0.0 113.384 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.97 155.8 5.92 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 172.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 39.7 mt-10 59.97 32.0 20.92 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.3 m -108.78 140.48 42.15 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 119.592 -1.942 . . . . 0.0 110.981 -163.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 84.7 m -95.77 108.78 21.14 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.759 -1.213 . . . . 0.0 113.433 -168.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.3 167.3 12.4 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.185 1.794 . . . . 0.0 106.477 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -123.04 157.46 32.73 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.849 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.3 tp -118.78 139.89 50.84 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 112.51 -2.132 . . . . 0.0 106.908 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.44 157.55 30.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 161.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.6 mt -126.36 137.99 53.52 Favored 'General case' 0 CA--C 1.562 1.406 0 O-C-N 119.439 -2.038 . . . . 0.0 109.769 -163.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -94.31 110.78 22.51 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.381 1.05 . . . . 0.0 109.075 167.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.0 mt -69.67 151.49 45.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 125.572 1.795 . . . . 0.0 112.285 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -60.87 153.4 24.81 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 122.496 1.141 . . . . 0.0 112.489 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.27 3.93 56.48 Favored Glycine 0 C--N 1.383 3.14 0 O-C-N 117.288 -3.383 . . . . 0.0 116.749 167.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.086 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 178.241 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 117.245 -1.36 . . . . 0.0 112.697 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -74.01 138.59 44.2 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 121.132 1.787 . . . . 0.0 111.17 171.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.71 172.68 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 165.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -124.02 143.6 50.33 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.3 t -134.58 121.77 36.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 O-C-N 119.807 -1.808 . . . . 0.0 107.539 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -73.15 125.93 28.86 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 p -86.21 -170.09 2.94 Favored 'General case' 0 N--CA 1.517 2.883 0 O-C-N 121.467 -0.771 . . . . 0.0 112.1 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.75 23.61 12.9 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-N 120.326 1.421 . . . . 0.0 113.475 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 p -115.84 4.77 13.97 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.47 1.508 . . . . 0.0 111.344 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.11 23.94 18.42 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -116.44 143.35 45.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.015 1.726 . . . . 0.0 115.107 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -106.92 111.11 23.46 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 168.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.73 142.66 13.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.0 m -108.25 124.69 50.7 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 123.41 2.823 . . . . 0.0 107.155 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.24 144.74 47.6 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 115.896 -2.002 . . . . 0.0 111.633 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.16 124.37 40.14 Favored 'General case' 0 N--CA 1.42 -1.925 0 O-C-N 127.135 2.772 . . . . 0.0 108.039 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.17 164.53 27.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -96.3 158.43 33.93 Favored Pre-proline 0 CA--C 1.573 1.858 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 164.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -67.92 -27.92 36.32 Favored 'Trans proline' 0 C--N 1.288 -2.645 0 CA-C-O 116.299 -1.626 . . . . 0.0 113.618 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 p -85.28 16.55 3.56 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.647 2.021 . . . . 0.0 115.467 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.25 143.58 45.03 Favored 'General case' 0 CA--C 1.573 1.829 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 167.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 55' ' ' THR 0.265 77.5 p -76.65 163.58 26.72 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 120.914 -1.117 . . . . 0.0 112.52 171.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.98 -40.09 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 O-C-N 124.326 1.016 . . . . 0.0 112.633 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -37.74 -45.88 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 160.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -70.03 -21.61 63.17 Favored 'General case' 0 CA--C 1.457 -2.599 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.47 -45.72 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 CA-C-N 118.025 0.375 . . . . 0.0 110.735 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -59.04 -37.77 77.75 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.58 76.34 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 124.392 1.077 . . . . 0.0 113.405 173.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -69.04 -39.42 79.2 Favored 'General case' 0 C--O 1.194 -1.866 0 C-N-CA 117.821 -1.552 . . . . 0.0 109.925 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.43 -38.25 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 119.331 -2.106 . . . . 0.0 116.676 170.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -56.53 -47.81 78.6 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 121.281 1.855 . . . . 0.0 112.857 164.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.05 -44.07 97.94 Favored 'General case' 0 CA--C 1.576 1.953 0 C-N-CA 117.678 -1.609 . . . . 0.0 111.798 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -81.35 -34.6 31.67 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-O 114.572 -2.632 . . . . 0.0 117.773 -171.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -127.18 -4.32 6.2 Favored 'General case' 0 N--CA 1.527 3.416 0 CA-C-N 122.449 2.386 . . . . 0.0 110.396 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.71 8.8 82.29 Favored Glycine 0 N--CA 1.483 1.775 0 C-N-CA 123.626 0.631 . . . . 0.0 114.272 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.1 mt -83.94 126.13 71.16 Favored Pre-proline 0 N--CA 1.41 -2.465 0 CA-C-O 123.357 1.551 . . . . 0.0 108.637 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.66 142.1 62.17 Favored 'Trans proline' 0 C--N 1.262 -3.978 0 O-C-N 116.534 -2.403 . . . . 0.0 117.965 174.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.97 -27.42 58.26 Favored 'Trans proline' 0 N--CA 1.526 3.43 0 C-N-CA 123.158 2.572 . . . . 0.0 111.391 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -85.13 -22.14 28.97 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -90.7 5.28 48.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 124.926 1.391 . . . . 0.0 111.407 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -133.34 158.32 43.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 118.841 -2.412 . . . . 0.0 108.628 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -132.4 146.64 52.1 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 127.145 2.778 . . . . 0.0 109.035 170.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 mt -109.04 137.39 47.02 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 118.535 -2.603 . . . . 0.0 110.427 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 22.5 mm -121.23 150.61 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 N-CA-C 103.854 -2.646 . . . . 0.0 103.854 -169.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -141.39 136.26 31.24 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 104.33 -2.47 . . . . 0.0 104.33 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.86 1.21 Allowed 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.152 -1.592 . . . . 0.0 114.704 173.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 -4.45 65.34 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-O 116.604 -2.22 . . . . 0.0 116.062 -167.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -115.61 146.92 41.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -165.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -109.78 130.44 55.52 Favored 'General case' 0 CA--C 1.5 -0.95 0 O-C-N 119.953 -1.717 . . . . 0.0 106.798 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD22 ' CG ' ' A' ' 59' ' ' TYR . 26.0 mt -95.69 139.56 31.76 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 123.699 1.714 . . . . 0.0 113.792 -172.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -72.29 128.53 35.94 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.179 0.99 . . . . 0.0 113.179 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.75 -45.91 70.72 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 110.259 -3.155 . . . . 0.0 119.01 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -1.79 80.49 Favored Glycine 0 N--CA 1.483 1.784 0 CA-C-O 117.923 -1.487 . . . . 0.0 114.444 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -88.55 -179.92 6.15 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 118.402 1.101 . . . . 0.0 109.079 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 45.6 p -114.04 161.39 17.78 Favored 'General case' 0 CA--C 1.467 -2.246 0 C-N-CA 117.557 -1.657 . . . . 0.0 108.822 -171.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.56 -36.65 81.23 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 112.468 -2.151 . . . . 0.0 109.472 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -60.23 -43.12 96.3 Favored 'General case' 0 C--O 1.27 2.136 0 O-C-N 125.566 1.791 . . . . 0.0 109.317 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.82 -37.17 86.72 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 118.458 -2.651 . . . . 0.0 113.468 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CG ' HD22 ' A' ' 50' ' ' LEU . 45.1 m-85 -91.91 8.24 38.32 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 118.499 -2.626 . . . . 0.0 110.061 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 64.42 32.74 11.72 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 124.633 1.173 . . . . 0.0 110.604 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm -76.88 114.44 17.25 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 CA-C-O 124.019 1.866 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.58 161.61 13.58 Favored 'General case' 0 CA--C 1.557 1.231 0 O-C-N 118.571 -2.581 . . . . 0.0 110.164 -175.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -25.63 125.35 0.05 Allowed 'General case' 0 C--N 1.4 2.787 0 C-N-CA 126.845 2.058 . . . . 0.0 115.239 164.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.378 88.9 mt-10 72.97 21.85 3.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.932 2.093 . . . . 0.0 112.941 171.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.9 m -73.81 148.4 42.5 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-O 117.461 -1.257 . . . . 0.0 108.69 173.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.0 m -102.47 118.59 37.18 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 127.04 2.712 . . . . 0.0 106.959 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.8 mt -105.67 162.69 13.3 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -133.83 155.26 50.15 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tt -101.06 146.78 27.0 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 126.845 2.591 . . . . 0.0 108.172 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.88 144.83 34.53 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.623 0 CA-C-O 116.245 -1.836 . . . . 0.0 110.351 167.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 mt -113.59 122.48 47.33 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-O 123.842 1.782 . . . . 0.0 108.503 -173.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -155.36 157.49 37.2 Favored 'General case' 0 CA--C 1.567 1.609 0 CA-C-O 123.385 1.564 . . . . 0.0 110.572 -170.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.5 tp -52.9 146.45 10.79 Favored 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -171.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -50.78 161.67 0.33 Allowed 'General case' 0 C--N 1.383 2.029 0 CA-C-O 124.754 2.216 . . . . 0.0 115.251 164.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.35 -116.63 3.26 Favored Glycine 0 CA--C 1.547 2.067 0 CA-C-N 111.733 -2.485 . . . . 0.0 109.017 168.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 CA-C-O 113.699 -3.834 . . . . 0.0 111.287 169.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.728 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.482 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -101.55 138.0 39.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.699 0.681 . . . . 0.0 112.232 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -123.03 171.95 11.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 165.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.01 151.95 35.68 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.35 136.62 59.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 122.573 1.178 . . . . 0.0 109.006 165.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -94.3 125.57 39.03 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 114.111 -1.404 . . . . 0.0 110.709 166.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -92.66 169.57 10.4 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 119.784 1.175 . . . . 0.0 109.711 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.722 HD11 ' H ' ' A' ' 71' ' ' LEU . 63.0 mt -61.83 -39.95 93.59 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 125.193 1.397 . . . . 0.0 110.865 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -69.75 -8.66 49.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.053 -1.885 . . . . 0.0 112.977 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.14 27.21 37.78 Favored Glycine 0 CA--C 1.558 2.731 0 CA-C-O 117.68 -1.622 . . . . 0.0 115.988 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -97.24 132.78 42.66 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 119.13 1.465 . . . . 0.0 109.278 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -91.73 110.32 21.66 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.423 1.106 . . . . 0.0 108.146 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.8 pt -109.26 150.27 12.03 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.557 -173.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 m -120.27 121.88 39.65 Favored 'General case' 0 C--N 1.385 2.11 0 CA-C-O 122.504 1.145 . . . . 0.0 111.366 -167.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 mt -119.3 129.76 55.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.634 -2.075 . . . . 0.0 105.469 -163.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -108.72 127.46 54.01 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -153.93 165.06 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 124.202 1.001 . . . . 0.0 109.176 -161.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -113.79 152.57 45.69 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 102.462 -3.162 . . . . 0.0 102.462 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -81.61 -1.03 10.77 Favored 'Trans proline' 0 C--N 1.3 -1.976 0 CA-C-N 120.689 1.282 . . . . 0.0 113.416 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -16.74 28.84 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.098 -1.001 . . . . 0.0 110.162 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -55.5 139.88 42.32 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.521 0.329 . . . . 0.0 111.498 174.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 41.3 p -77.8 162.44 26.9 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 121.383 -0.823 . . . . 0.0 111.528 173.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.98 -36.71 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.63 -36.09 71.36 Favored 'General case' 0 C--O 1.269 2.129 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 168.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -69.68 -33.25 72.29 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 119.854 1.207 . . . . 0.0 109.28 170.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.287 39.5 t -62.33 -42.68 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 113.382 -1.735 . . . . 0.0 109.698 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -65.78 -29.26 69.73 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 112.798 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.9 79.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.466 1.104 . . . . 0.0 112.318 171.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -63.25 -33.07 74.71 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 119.23 -2.169 . . . . 0.0 112.565 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.92 -35.6 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.886 -0.509 . . . . 0.0 111.145 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -60.6 -44.2 96.53 Favored 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 117.077 -1.439 . . . . 0.0 111.693 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -56.31 -49.69 73.57 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 120.424 1.465 . . . . 0.0 109.659 169.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -83.75 -38.24 21.62 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.75 10.16 8.96 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.49 23.86 68.91 Favored Glycine 0 N--CA 1.467 0.741 0 CA-C-N 114.172 -1.376 . . . . 0.0 114.462 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.1 mt -91.63 129.56 42.19 Favored Pre-proline 0 C--O 1.164 -3.407 0 CA-C-N 119.51 1.655 . . . . 0.0 109.856 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -51.08 122.29 9.73 Favored 'Trans proline' 0 N--CA 1.527 3.456 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 166.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -63.7 -35.13 59.68 Favored 'Trans proline' 1 N--CA 1.537 4.076 0 N-CA-C 117.784 2.186 . . . . 0.0 117.784 -172.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.43 -40.47 1.77 Allowed 'General case' 0 C--O 1.266 1.928 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 162.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -76.31 -14.03 60.12 Favored 'General case' 0 CA--C 1.576 1.972 0 O-C-N 117.595 -3.191 . . . . 0.0 113.266 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -85.12 123.41 30.61 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.188 1.947 . . . . 0.0 113.592 -158.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -118.29 107.86 14.41 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 118.107 -2.87 . . . . 0.0 105.936 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -95.34 119.94 34.71 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.1 mm -111.65 124.29 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.544 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -124.87 135.18 52.66 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 102.737 -3.061 . . . . 0.0 102.737 175.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.18 29.94 19.44 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 170.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.29 7.59 82.63 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 115.907 1.123 . . . . 0.0 115.907 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -148.55 140.72 24.05 Favored 'General case' 0 CA--C 1.567 1.632 0 CA-C-O 126.247 2.927 . . . . 0.0 112.934 -172.666 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.66 151.33 47.58 Favored 'General case' 0 CA--C 1.566 1.593 0 O-C-N 117.051 -3.531 . . . . 0.0 110.084 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.99 141.58 30.77 Favored 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.36 123.17 20.49 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.921 0.867 . . . . 0.0 109.753 168.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.36 -44.86 95.19 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -164.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.48 -7.65 53.7 Favored Glycine 0 N--CA 1.487 2.099 0 C-N-CA 126.691 2.091 . . . . 0.0 116.376 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -90.41 172.86 8.44 Favored 'General case' 0 N--CA 1.414 -2.252 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 63.9 p -104.67 164.53 11.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.336 1.454 . . . . 0.0 112.772 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.12 -34.98 72.68 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.061 1.344 . . . . 0.0 111.038 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -67.52 -33.3 74.79 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.197 -2.19 . . . . 0.0 110.596 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.82 -28.89 69.33 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.78 1.3 . . . . 0.0 113.72 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.22 10.16 41.97 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 119.328 -2.108 . . . . 0.0 112.038 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.4 m120 69.1 30.63 4.33 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 125.468 1.73 . . . . 0.0 113.179 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -82.97 107.61 14.9 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 O-C-N 120.839 -1.163 . . . . 0.0 107.915 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -115.17 166.31 11.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 124.291 1.996 . . . . 0.0 110.578 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.253 36.8 pttt -33.34 139.2 0.06 Allowed 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 112.212 -2.267 . . . . 0.0 114.257 -173.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 71.25 11.47 6.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -65.66 150.54 48.3 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.382 168.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.2 m -114.89 113.91 24.8 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mp -95.43 158.29 15.52 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -105.88 131.11 53.6 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.784 -1.823 . . . . 0.0 106.765 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -104.99 109.56 21.6 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 102.937 -2.986 . . . . 0.0 102.937 173.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -100.78 144.58 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.74 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.722 ' H ' HD11 ' A' ' 8' ' ' LEU . 37.1 mt -108.47 137.99 45.51 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 117.689 2.478 . . . . 0.0 117.689 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -67.13 124.29 22.66 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 126.808 3.194 . . . . 0.0 118.22 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.3 mt -105.37 -19.72 13.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.832 2.853 . . . . 0.0 108.157 163.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -138.37 158.27 44.6 Favored 'General case' 0 CA--C 1.581 2.139 0 O-C-N 125.562 1.789 . . . . 0.0 109.268 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.67 150.14 6.16 Favored Glycine 0 C--N 1.349 1.295 0 C-N-CA 126.303 1.906 . . . . 0.0 114.58 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.813 0 CA-C-O 117.499 -1.723 . . . . 0.0 115.321 171.2 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ptt? . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 113.807 -2.997 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -90.81 149.57 21.92 Favored 'General case' 0 CA--C 1.552 1.023 0 O-C-N 127.022 2.701 . . . . 0.0 114.357 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 pt -139.06 159.87 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 163.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -122.09 124.82 44.82 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 118.958 -1.097 . . . . 0.0 112.489 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.4 124.0 65.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -114.39 124.43 51.93 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 119.143 -2.223 . . . . 0.0 107.313 -174.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -67.31 162.24 23.24 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 117.214 -1.374 . . . . 0.0 112.2 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.8 -42.62 89.54 Favored 'General case' 0 C--N 1.386 2.163 0 O-C-N 126.392 2.308 . . . . 0.0 112.066 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -72.57 -30.36 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.168 -1.583 . . . . 0.0 114.759 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.57 -12.03 4.3 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 119.812 2.685 . . . . 0.0 119.812 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -57.93 146.37 32.49 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.255 1.026 . . . . 0.0 108.425 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -120.51 116.26 25.06 Favored 'General case' 0 C--O 1.2 -1.541 0 O-C-N 119.332 -2.105 . . . . 0.0 107.945 -171.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.77 121.74 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 126.016 1.726 . . . . 0.0 108.422 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -93.66 130.48 39.58 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 119.975 -1.703 . . . . 0.0 107.122 176.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -119.46 123.4 43.96 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 173.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -74.38 127.36 32.82 Favored 'General case' 0 C--O 1.254 1.318 0 O-C-N 125.295 1.622 . . . . 0.0 111.075 157.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.53 165.91 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.416 0 CA-C-N 113.692 -1.595 . . . . 0.0 109.922 -171.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -106.57 161.36 23.12 Favored Pre-proline 0 C--N 1.307 -1.275 0 CA-C-N 112.907 -1.951 . . . . 0.0 112.058 171.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -72.1 -13.91 28.76 Favored 'Trans proline' 0 N--CA 1.507 2.319 0 CA-C-N 122.637 1.977 . . . . 0.0 113.329 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -95.91 8.78 42.68 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 125.981 2.051 . . . . 0.0 110.648 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -75.66 135.24 40.45 Favored 'General case' 0 C--N 1.377 1.8 0 O-C-N 120.042 -1.661 . . . . 0.0 111.82 166.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 20.7 p -82.93 163.67 20.93 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-O 127.423 3.487 . . . . 0.0 113.649 -177.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.77 -45.2 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 115.006 -2.426 . . . . 0.0 108.317 169.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.82 -40.38 41.77 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 121.011 1.732 . . . . 0.0 114.142 168.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -65.22 -45.84 83.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.905 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.578 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -57.36 -40.22 77.61 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.59 86.31 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.58 -38.56 84.99 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 126.288 2.242 . . . . 0.0 114.481 165.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.16 -40.65 87.6 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 119.904 -1.747 . . . . 0.0 111.247 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -56.42 -42.88 78.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 126.45 2.344 . . . . 0.0 111.416 170.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -63.91 -47.63 79.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 116.766 -1.588 . . . . 0.0 113.859 169.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -69.64 -51.41 35.11 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 120.775 1.625 . . . . 0.0 114.635 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -122.48 -6.36 8.71 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.113 1.324 . . . . 0.0 112.881 -164.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.93 33.41 41.49 Favored Glycine 0 C--N 1.369 2.371 0 CA-C-O 117.021 -1.989 . . . . 0.0 114.878 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -100.1 123.11 48.16 Favored Pre-proline 0 C--N 1.402 2.884 0 CA-C-N 121.167 2.484 . . . . 0.0 106.959 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -52.99 140.32 59.43 Favored 'Trans proline' 0 CA--C 1.573 2.449 0 O-C-N 124.273 1.67 . . . . 0.0 116.353 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -51.15 -38.41 60.47 Favored 'Trans proline' 0 N--CA 1.507 2.295 0 N-CA-C 118.237 2.36 . . . . 0.0 118.237 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -84.39 0.86 47.79 Favored 'General case' 0 C--N 1.309 -1.18 0 O-C-N 126.266 2.229 . . . . 0.0 110.372 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -107.19 30.14 6.48 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 121.368 -0.832 . . . . 0.0 112.005 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -135.51 152.79 51.66 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-O 124.795 2.236 . . . . 0.0 110.071 -172.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -140.91 146.19 37.09 Favored 'General case' 0 N--CA 1.394 -3.229 0 N-CA-C 104.716 -2.327 . . . . 0.0 104.716 162.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt -123.36 119.12 29.15 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mt -104.27 155.91 5.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.47 0 O-C-N 124.825 1.328 . . . . 0.0 110.229 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -157.73 115.26 3.02 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -176.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 7.53 96.33 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 128.99 2.916 . . . . 0.0 117.878 -169.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.97 -9.5 52.84 Favored Glycine 0 C--N 1.363 2.03 0 CA-C-O 117.084 -1.953 . . . . 0.0 115.665 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -139.33 125.16 19.64 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-O 125.281 2.467 . . . . 0.0 114.0 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.73 135.81 50.23 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 119.599 -1.938 . . . . 0.0 108.691 165.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.4 131.65 47.38 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 125.385 2.517 . . . . 0.0 116.165 -170.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' CD ' HH21 ' A' ' 54' ' ' ARG . 50.9 mt-10 -66.13 143.2 57.44 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 129.001 2.921 . . . . 0.0 117.035 171.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.79 -38.46 80.01 Favored 'General case' 0 CA--C 1.49 -1.352 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.276 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.43 22.66 39.61 Favored Glycine 0 C--O 1.206 -1.624 0 O-C-N 123.422 0.451 . . . . 0.0 111.981 -161.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.453 HH21 ' CD ' ' A' ' 51' ' ' GLU . 30.9 mmt180 -105.82 150.01 25.97 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 174.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 73.0 p -82.95 165.87 19.34 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.272 -0.892 . . . . 0.0 113.314 161.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.7 mt -61.55 -36.02 79.43 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.745 0.783 . . . . 0.0 111.415 174.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 t -63.78 -36.77 84.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 118.624 -2.547 . . . . 0.0 114.202 167.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -62.33 -33.96 75.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.335 1.425 . . . . 0.0 111.826 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -90.04 -4.27 57.49 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 116.927 2.195 . . . . 0.0 116.927 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.368 2.4 m120 78.3 38.11 0.18 Allowed 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.968 173.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.8 mm -72.54 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 CA-C-O 124.21 1.957 . . . . 0.0 109.563 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -104.06 164.32 11.79 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.628 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -69.86 131.8 45.02 Favored 'General case' 0 CA--C 1.573 1.856 0 CA-C-O 126.429 3.014 . . . . 0.0 113.322 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.287 25.4 mt-10 83.5 23.05 0.14 Allowed 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 112.342 -2.208 . . . . 0.0 113.25 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 m -68.26 137.64 54.89 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -98.99 126.66 44.74 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.337 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 mp -133.75 153.83 51.42 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 125.455 1.722 . . . . 0.0 108.213 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -120.84 128.59 52.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 118.241 -1.384 . . . . 0.0 112.997 -161.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.3 124.21 36.2 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 117.887 -1.525 . . . . 0.0 108.734 -175.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t -110.04 105.09 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 167.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . 0.251 17.7 tp -59.36 134.12 56.72 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 113.638 -1.619 . . . . 0.0 113.255 169.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -92.94 141.43 28.42 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.58 173.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.49 151.23 19.48 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 123.281 1.515 . . . . 0.0 110.821 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -132.67 156.21 47.39 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -172.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.78 -164.42 35.37 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 118.929 -1.605 . . . . 0.0 110.748 164.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 C-N-CA 128.323 2.868 . . . . 0.0 109.853 -175.338 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.6 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.024 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -79.87 138.61 37.21 Favored 'General case' 0 C--N 1.38 1.911 0 CA-C-O 123.436 1.589 . . . . 0.0 114.101 -173.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.629 HG22 ' HB2' ' A' ' 65' ' ' SER . 43.5 pt -133.59 141.85 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 O-C-N 118.497 -2.627 . . . . 0.0 109.524 165.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -98.37 115.0 27.54 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 124.883 1.273 . . . . 0.0 108.797 -172.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -96.09 133.6 36.71 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -105.6 121.76 44.65 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -71.5 167.82 18.87 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 117.552 -3.218 . . . . 0.0 110.84 162.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.52 -36.58 84.24 Favored 'General case' 0 C--N 1.373 1.597 0 O-C-N 126.185 2.178 . . . . 0.0 107.391 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -100.7 11.88 38.62 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.55 9.89 28.12 Favored Glycine 0 C--N 1.285 -2.294 0 CA-C-O 117.3 -1.833 . . . . 0.0 114.239 159.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -76.85 136.81 38.91 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 121.917 2.859 . . . . 0.0 107.787 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -91.56 127.34 36.97 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 127.371 2.919 . . . . 0.0 107.18 172.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -120.32 127.27 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.43 0 N-CA-C 103.089 -2.93 . . . . 0.0 103.089 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -119.27 123.74 44.98 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 126.86 2.064 . . . . 0.0 109.475 -168.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 30' ' ' ILE . 16.0 mt -117.14 156.88 26.88 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 127.672 3.108 . . . . 0.0 111.665 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -109.16 115.98 31.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 128.132 2.573 . . . . 0.0 104.332 172.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -132.91 -171.98 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -143.31 157.23 60.25 Favored Pre-proline 0 CA--C 1.57 1.72 0 O-C-N 117.624 -3.172 . . . . 0.0 106.114 167.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -70.4 -7.89 22.31 Favored 'Trans proline' 0 N--CA 1.513 2.623 0 CA-C-N 120.477 1.206 . . . . 0.0 114.334 -168.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -92.01 0.86 57.47 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.668 1.587 . . . . 0.0 112.566 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -74.36 150.85 39.89 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.082 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 p -102.68 170.9 7.74 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.56 -33.39 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.719 0 CA-C-O 116.48 -1.724 . . . . 0.0 114.695 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -53.4 -40.24 64.92 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.686 169.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.98 -30.55 71.54 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 117.064 -1.446 . . . . 0.0 114.298 169.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -76.99 -33.71 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 121.369 1.895 . . . . 0.0 106.999 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -63.65 -40.59 97.23 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 118.651 -2.53 . . . . 0.0 111.343 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.88 78.52 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 124.989 1.316 . . . . 0.0 113.111 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.93 -36.95 85.1 Favored 'General case' 0 C--N 1.362 1.12 0 CA-C-N 118.987 0.812 . . . . 0.0 112.518 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.409 HG13 HD11 ' A' ' 15' ' ' LEU . 67.5 mt -69.95 -43.39 79.47 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.976 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -56.96 -42.81 80.82 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 120.528 1.513 . . . . 0.0 112.885 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . 0.267 3.4 t0 -59.79 -46.32 89.58 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.88 -1.137 . . . . 0.0 113.48 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -69.51 -51.51 35.11 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 169.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -121.93 5.98 9.86 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -163.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.92 9.66 86.9 Favored Glycine 0 CA--C 1.551 2.327 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mm -84.53 121.38 74.92 Favored Pre-proline 0 N--CA 1.508 2.454 0 CA-C-N 119.042 1.421 . . . . 0.0 112.035 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 7.9 Cg_exo -62.79 123.79 12.93 Favored 'Trans proline' 0 N--CA 1.517 2.873 0 C-N-CA 123.399 2.733 . . . . 0.0 114.838 -174.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 80.6 Cg_exo -51.14 -38.41 60.4 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 123.261 2.641 . . . . 0.0 115.51 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -59.43 -40.43 86.73 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 122.592 1.187 . . . . 0.0 111.804 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -88.13 -24.45 23.37 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 126.16 1.784 . . . . 0.0 112.993 -168.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.68 140.77 46.1 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -137.57 116.18 12.1 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.3 mt -112.0 126.65 55.37 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.127 -173.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.58 134.86 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.903 0 C-N-CA 125.254 1.422 . . . . 0.0 109.536 -172.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -141.73 120.49 12.65 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.31 39.54 28.4 Favored 'General case' 0 N--CA 1.516 2.846 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -165.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.0 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 117.395 1.718 . . . . 0.0 117.395 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -144.84 159.69 42.48 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.275 2.537 . . . . 0.0 108.552 172.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -51.74 159.86 0.74 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 131.315 3.846 . . . . 0.0 117.866 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -126.66 131.03 51.52 Favored 'General case' 0 N--CA 1.514 2.756 0 O-C-N 126.258 2.224 . . . . 0.0 106.502 -168.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.11 129.97 35.07 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.197 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.94 -33.67 57.47 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 113.388 -1.733 . . . . 0.0 110.852 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.41 85.85 Favored Glycine 0 C--N 1.293 -1.86 0 N-CA-C 118.289 2.076 . . . . 0.0 118.289 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -98.1 139.19 34.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.212 -1.169 . . . . 0.0 111.57 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -73.79 158.67 34.15 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.508 168.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.15 -26.41 65.75 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.844 2.457 . . . . 0.0 111.255 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.7 p -78.75 -18.78 53.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.97 1.471 . . . . 0.0 114.97 175.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.84 -35.41 76.91 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -89.32 -14.18 36.29 Favored 'General case' 0 C--O 1.185 -2.299 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.314 -177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 67.97 40.33 2.32 Favored 'General case' 0 N--CA 1.509 2.495 0 C-N-CA 127.13 2.172 . . . . 0.0 112.992 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.507 HD11 HD21 ' A' ' 67' ' ' LEU 0.277 4.5 mt -59.58 138.36 20.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 CA-C-O 122.111 0.957 . . . . 0.0 111.344 161.542 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -136.25 -177.58 4.77 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 113.184 -1.825 . . . . 0.0 108.19 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -58.82 125.7 24.61 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.213 2.672 . . . . 0.0 118.213 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 78.23 18.21 1.12 Allowed 'General case' 0 C--N 1.362 1.116 0 O-C-N 118.978 -2.326 . . . . 0.0 112.187 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.629 ' HB2' HG22 ' A' ' 3' ' ' ILE 0.292 22.0 m -63.67 139.56 58.78 Favored 'General case' 0 CA--C 1.463 -2.375 0 CA-C-O 117.367 -1.301 . . . . 0.0 111.843 166.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -117.25 114.11 23.16 Favored 'General case' 0 C--N 1.384 2.088 0 O-C-N 126.964 2.665 . . . . 0.0 112.89 -171.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.507 HD21 HD11 ' A' ' 61' ' ' ILE . 64.5 mt -105.32 153.46 21.59 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-O 115.261 -2.304 . . . . 0.0 108.398 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -116.55 124.24 49.38 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 125.615 1.822 . . . . 0.0 107.607 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -90.42 147.33 23.5 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-O 123.741 1.734 . . . . 0.0 110.707 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 t -144.37 137.52 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.54 126.22 33.12 Favored 'General case' 0 C--O 1.193 -1.906 0 CA-C-O 124.949 2.309 . . . . 0.0 107.613 166.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -32.9 132.14 0.15 Allowed 'General case' 0 N--CA 1.499 1.977 1 N-CA-C 122.821 4.378 . . . . 0.0 122.821 174.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.9 tp -112.44 129.23 56.4 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.878 -1.964 . . . . 0.0 107.462 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -88.84 145.24 25.7 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.58 156.46 7.31 Favored Glycine 0 C--N 1.365 2.14 0 C-N-CA 129.807 3.575 . . . . 0.0 119.653 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 2.136 0 CA-C-N 114.443 -0.879 . . . . 0.0 111.145 178.217 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.516 2.869 0 CA-C-O 120.348 0.118 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -79.94 143.85 33.84 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.07 134.55 66.25 Favored 'Isoleucine or valine' 0 C--N 1.373 1.607 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 162.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -100.52 118.36 36.55 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.32 133.18 66.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 122.747 1.261 . . . . 0.0 110.425 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -99.67 121.48 41.3 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.219 -173.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.5 p -81.6 165.0 21.48 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 124.075 1.893 . . . . 0.0 111.497 173.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -57.15 -42.88 81.84 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 112.558 -2.11 . . . . 0.0 115.89 168.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -8.26 2.2 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 169.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.7 22.33 26.42 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 117.454 1.742 . . . . 0.0 117.454 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -105.33 140.08 39.0 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 118.759 -2.613 . . . . 0.0 112.125 -170.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -79.58 110.96 15.39 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 119.039 -1.064 . . . . 0.0 110.461 167.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.5 mm -102.22 132.84 47.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 m -77.31 123.54 26.62 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD11 ' HB ' ' A' ' 30' ' ' ILE . 44.0 mt -113.58 129.28 56.59 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 118.571 -1.251 . . . . 0.0 113.151 171.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -102.65 112.66 25.53 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.45 147.26 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.116 -163.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -86.4 153.96 56.5 Favored Pre-proline 0 N--CA 1.475 0.802 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.32 -19.84 61.89 Favored 'Trans proline' 0 N--CA 1.515 2.782 0 N-CA-C 108.93 -1.219 . . . . 0.0 108.93 -175.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -91.27 17.11 8.74 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 119.474 -2.016 . . . . 0.0 113.799 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.34 139.71 30.23 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-O 124.2 1.952 . . . . 0.0 111.559 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -70.02 154.26 42.17 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 124.411 2.053 . . . . 0.0 115.724 172.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -63.8 -31.19 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 O-C-N 118.457 -2.652 . . . . 0.0 113.509 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.09 -53.21 28.77 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-O 124.387 2.041 . . . . 0.0 113.061 163.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . 0.293 39.6 t-20 -58.51 -44.93 89.64 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 114.226 -1.352 . . . . 0.0 113.254 172.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -59.98 -42.78 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.643 0 O-C-N 119.996 -1.69 . . . . 0.0 111.377 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -60.09 -35.45 75.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 126.669 2.481 . . . . 0.0 117.412 163.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.36 64.56 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-O 117.388 -1.292 . . . . 0.0 108.858 174.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -68.92 -30.71 69.23 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 124.056 0.847 . . . . 0.0 111.977 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.524 ' HB ' HD11 ' A' ' 15' ' ' LEU . 18.9 tt -91.69 -15.95 8.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 118.406 -2.684 . . . . 0.0 107.404 -175.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.25 18.4 tt0 -64.31 -45.04 89.67 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 124.667 1.187 . . . . 0.0 112.485 162.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -57.38 -51.99 67.17 Favored 'General case' 0 C--N 1.364 1.219 0 O-C-N 125.185 1.553 . . . . 0.0 110.99 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -60.37 -55.56 32.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.57 -1.956 . . . . 0.0 115.83 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -124.41 -18.85 5.64 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.815 0.816 . . . . 0.0 112.696 -160.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.5 30.77 20.85 Favored Glycine 0 C--N 1.364 2.086 0 O-C-N 120.35 -1.469 . . . . 0.0 114.824 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.9 pp -71.96 150.55 92.74 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 115.225 -2.321 . . . . 0.0 109.211 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.428 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 86.0 Cg_endo -88.42 108.41 0.54 Allowed 'Trans proline' 0 C--N 1.282 -2.963 0 CA-C-O 112.704 -3.124 . . . . 0.0 116.903 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 6.6 Cg_exo -43.68 -53.76 4.2 Favored 'Trans proline' 0 N--CA 1.523 3.221 1 C-N-CA 125.407 4.072 . . . . 0.0 118.174 -178.689 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.62 -31.68 69.72 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 125.167 1.542 . . . . 0.0 113.968 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -78.45 -15.38 58.7 Favored 'General case' 0 C--N 1.367 1.352 0 O-C-N 119.551 -1.968 . . . . 0.0 114.727 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -123.92 120.59 32.98 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -166.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -100.11 120.52 39.98 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.774 2.03 . . . . 0.0 108.8 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.7 tp -78.54 128.93 34.23 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.934 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.92 141.2 20.07 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 119.959 -1.713 . . . . 0.0 108.696 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.68 139.29 49.02 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.541 2.4 . . . . 0.0 109.944 159.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . 0.316 . . 40.18 55.61 2.68 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 125.29 1.436 . . . . 0.0 114.135 -176.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.93 -1.02 18.57 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 118.336 2.094 . . . . 0.0 118.336 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -121.59 127.47 50.94 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 118.796 1.298 . . . . 0.0 109.053 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.56 132.97 55.59 Favored 'General case' 0 N--CA 1.513 2.707 0 C-N-CA 125.671 1.589 . . . . 0.0 112.19 170.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.34 122.08 44.71 Favored 'General case' 0 N--CA 1.514 2.733 0 CA-C-O 116.8 -1.572 . . . . 0.0 109.806 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.4 140.97 57.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 125.633 1.833 . . . . 0.0 114.038 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.91 -39.66 90.2 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 123.566 1.65 . . . . 0.0 113.107 -171.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.78 -24.56 62.54 Favored Glycine 0 C--N 1.37 2.463 0 N-CA-C 119.723 2.649 . . . . 0.0 119.723 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -95.42 149.8 20.99 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.422 1.489 . . . . 0.0 113.089 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 p -77.55 167.61 21.33 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 117.745 -1.582 . . . . 0.0 113.323 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.77 -45.09 94.31 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.703 1.601 . . . . 0.0 111.27 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -66.29 -41.57 89.6 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 128.008 3.318 . . . . 0.0 110.828 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.86 -44.68 86.72 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 119.714 1.143 . . . . 0.0 112.452 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -81.34 -7.27 59.55 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.653 1.581 . . . . 0.0 114.445 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.52 36.94 2.74 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.869 1.667 . . . . 0.0 112.686 175.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.6 mm -85.15 131.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.371 1.511 0 C-N-CA 124.323 1.049 . . . . 0.0 110.175 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -111.49 159.01 18.49 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 125.633 1.833 . . . . 0.0 110.2 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.01 146.77 31.56 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-N 111.455 -2.611 . . . . 0.0 113.235 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.304 39.2 mt-10 77.35 0.33 2.94 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.6 m -82.63 148.56 27.91 Favored 'General case' 0 CA--C 1.564 1.493 0 CA-C-O 123.512 1.625 . . . . 0.0 110.104 173.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.0 m -109.08 128.96 55.43 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -165.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mp -127.15 158.73 36.27 Favored 'General case' 0 C--O 1.196 -1.743 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -132.53 115.24 15.23 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.4 -2.063 . . . . 0.0 110.76 -166.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.23 140.27 57.11 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.969 -1.093 . . . . 0.0 111.933 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t -129.06 138.87 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 CA-C-N 119.462 1.028 . . . . 0.0 109.297 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.27 139.36 58.76 Favored 'General case' 0 CA--C 1.592 2.562 0 O-C-N 118.314 -2.741 . . . . 0.0 111.065 172.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -44.69 154.39 0.13 Allowed 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 111.545 -2.57 . . . . 0.0 114.485 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.69 141.03 56.79 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.584 168.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -126.47 132.74 51.36 Favored 'General case' 0 N--CA 1.502 2.128 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.734 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.77 -144.77 0.43 Allowed Glycine 0 C--N 1.372 2.567 0 CA-C-O 124.669 2.261 . . . . 0.0 117.169 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.05 0 CA-C-N 112.72 -1.74 . . . . 0.0 111.315 -178.345 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.543 0.687 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.59 140.5 29.48 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-O 121.867 0.841 . . . . 0.0 110.288 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.1 168.92 21.48 Favored 'Isoleucine or valine' 0 C--N 1.374 1.633 0 O-C-N 120.124 -1.61 . . . . 0.0 109.18 159.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -113.41 143.88 43.73 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.65 111.84 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 173.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -105.06 112.41 25.53 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.212 -0.93 . . . . 0.0 109.618 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 p -66.6 147.69 52.93 Favored 'General case' 0 C--N 1.37 1.465 0 CA-C-O 122.581 1.182 . . . . 0.0 112.328 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 8' ' ' LEU . 13.1 tp -62.76 -11.6 18.67 Favored 'General case' 0 N--CA 1.504 2.266 0 CA-C-O 121.964 0.887 . . . . 0.0 111.952 174.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.6 p -86.83 -8.96 56.83 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.066 -1.647 . . . . 0.0 114.452 169.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.96 32.52 6.14 Favored Glycine 0 C--O 1.256 1.526 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 172.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -117.45 123.2 45.8 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-O 122.378 1.085 . . . . 0.0 111.217 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.9 m -97.75 107.08 19.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -172.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mm -92.51 128.03 44.33 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 125.973 2.046 . . . . 0.0 110.365 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.4 p -76.06 120.17 21.0 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 126.47 2.356 . . . . 0.0 112.822 174.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 tp -129.57 151.03 50.63 Favored 'General case' 0 C--N 1.401 2.817 0 O-C-N 119.684 -1.885 . . . . 0.0 111.468 174.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -114.51 123.53 49.62 Favored 'General case' 0 C--N 1.375 1.706 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.06 165.29 28.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 125.512 1.525 . . . . 0.0 109.575 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -105.29 163.49 17.03 Favored Pre-proline 0 CA--C 1.557 1.248 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.26 -23.87 15.06 Favored 'Trans proline' 0 N--CA 1.506 2.228 0 C-N-CA 121.419 1.413 . . . . 0.0 113.279 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 p -81.01 -0.51 39.97 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 171.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -66.91 146.7 54.11 Favored 'General case' 0 C--N 1.378 1.839 0 CA-C-N 119.787 1.176 . . . . 0.0 111.261 171.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 45.6 p -96.25 162.86 13.33 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 126.934 2.646 . . . . 0.0 108.903 172.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG13 ' HB3' ' A' ' 50' ' ' LEU . 19.4 mm -60.92 -38.14 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 113.808 -1.542 . . . . 0.0 114.547 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -58.62 -36.69 74.46 Favored 'General case' 0 C--O 1.272 2.279 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 160.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.44 -43.19 97.09 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 120.806 1.639 . . . . 0.0 112.546 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.04 -39.25 81.62 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 123.565 1.65 . . . . 0.0 113.793 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.96 -39.22 88.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 118.588 -2.57 . . . . 0.0 112.349 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.91 41.79 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -76.21 -36.22 58.7 Favored 'General case' 0 N--CA 1.415 -2.222 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.42 -43.4 90.35 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 165.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -59.77 -32.82 70.95 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 118.559 2.799 . . . . 0.0 118.559 171.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.91 -47.93 75.99 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.406 161.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 20.6 tptp -62.86 -46.91 85.69 Favored 'General case' 0 C--O 1.25 1.122 0 C-N-CA 118.257 -1.377 . . . . 0.0 114.431 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.415 ' HG2' ' HG3' ' A' ' 33' ' ' LYS . 63.8 mm-40 -135.16 -11.0 2.23 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 125.615 1.822 . . . . 0.0 111.9 -158.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 24.38 61.56 Favored Glycine 0 CA--C 1.544 1.88 0 N-CA-C 116.945 1.538 . . . . 0.0 116.945 174.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.7 mt -92.14 124.65 59.22 Favored Pre-proline 0 C--O 1.218 -0.597 0 CA-C-O 112.111 -3.804 . . . . 0.0 108.038 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -46.42 128.73 12.77 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 O-C-N 125.3 2.211 . . . . 0.0 111.931 -168.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.92 -28.02 11.64 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 CA-C-N 121.403 1.537 . . . . 0.0 113.718 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -11.15 60.62 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.441 1.713 . . . . 0.0 112.4 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -117.87 13.75 14.11 Favored 'General case' 0 CA--C 1.56 1.34 0 O-C-N 121.089 -1.007 . . . . 0.0 111.976 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -97.15 139.71 32.74 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -118.95 110.09 16.73 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.47 127.26 41.36 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 125.668 1.855 . . . . 0.0 111.134 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -115.53 143.7 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -116.06 113.41 23.13 Favored 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 122.171 0.986 . . . . 0.0 112.165 161.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.91 45.49 6.41 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.66 6.7 52.34 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 117.753 1.861 . . . . 0.0 117.753 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -135.05 114.24 12.23 Favored 'General case' 0 CA--C 1.585 2.306 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.71 125.78 25.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.289 1.436 . . . . 0.0 107.613 171.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.404 ' HB3' HG13 ' A' ' 23' ' ' ILE . 38.9 mt -99.78 114.61 27.87 Favored 'General case' 0 N--CA 1.406 -2.661 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 -167.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.94 141.31 54.01 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.203 1.401 . . . . 0.0 111.107 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.86 -32.97 69.93 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 117.167 -1.397 . . . . 0.0 113.987 -160.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.42 62.85 Favored Glycine 0 N--CA 1.505 3.284 0 O-C-N 128.164 3.415 . . . . 0.0 111.883 -171.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' THR . 41.8 mmt180 -77.85 158.46 29.45 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.461 -1.023 . . . . 0.0 110.081 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.2 p -107.42 163.01 13.41 Favored 'General case' 0 C--O 1.194 -1.851 0 CA-C-N 118.947 0.794 . . . . 0.0 109.663 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.2 mt -57.99 -36.83 73.19 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.4 m -54.97 -39.22 68.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 170.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.85 -36.84 81.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.48 1.512 . . . . 0.0 111.581 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -99.33 8.6 44.54 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -178.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m120 67.81 44.64 1.55 Allowed 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 121.522 -0.736 . . . . 0.0 109.29 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.0 mt -98.32 101.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.459 1.6 . . . . 0.0 108.015 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -89.38 162.26 15.88 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.262 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -53.51 140.86 26.93 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.603 -1.311 . . . . 0.0 112.969 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.282 47.4 mt-10 62.28 17.88 9.71 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.081 1.752 . . . . 0.0 115.044 -168.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -71.82 143.19 49.56 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-O 122.709 1.242 . . . . 0.0 108.689 166.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.03 121.47 38.95 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.658 -1.61 . . . . 0.0 106.726 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.86 153.15 19.0 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-O 122.615 1.198 . . . . 0.0 107.837 168.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -102.22 136.59 41.77 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 124.309 2.004 . . . . 0.0 107.755 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 tp -108.74 128.41 54.85 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -126.56 129.96 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.58 136.11 38.44 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.715 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -94.71 13.13 25.41 Favored 'General case' 0 C--N 1.371 1.532 0 CA-C-O 122.432 1.111 . . . . 0.0 110.918 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.2 mt -56.21 134.28 53.0 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -141.31 164.51 30.04 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 127.042 2.137 . . . . 0.0 105.565 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.06 -157.38 4.02 Favored Glycine 0 C--O 1.207 -1.533 0 N-CA-C 118.869 2.307 . . . . 0.0 118.869 -166.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.735 0 CA-C-N 110.955 -2.623 . . . . 0.0 114.579 -169.216 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.525 3.31 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.15 134.21 50.15 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 119.566 -1.959 . . . . 0.0 114.363 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.69 161.83 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 163.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -108.83 146.5 33.56 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 124.051 1.882 . . . . 0.0 109.656 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.15 125.72 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 CA-C-N 112.523 -2.126 . . . . 0.0 108.619 164.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.18 129.02 34.89 Favored 'General case' 0 C--N 1.363 1.192 0 O-C-N 127.536 3.023 . . . . 0.0 110.664 160.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -96.47 168.29 10.64 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 114.081 -1.418 . . . . 0.0 114.035 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.13 -8.37 56.36 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 p -98.88 2.91 47.06 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 124.06 0.944 . . . . 0.0 109.631 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.05 28.96 57.67 Favored Glycine 0 N--CA 1.424 -2.104 0 CA-C-O 118.728 -1.04 . . . . 0.0 113.041 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.25 70.9 tttt -92.72 149.64 21.18 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 118.517 1.159 . . . . 0.0 110.267 167.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -112.17 129.02 56.39 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 pt -123.69 142.12 41.51 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.308 0 CA-C-N 112.8 -2.0 . . . . 0.0 111.505 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -105.65 131.15 53.38 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 126.271 2.232 . . . . 0.0 108.345 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -129.67 161.01 31.58 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -169.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -126.31 118.95 26.14 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 124.925 2.298 . . . . 0.0 107.098 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.468 HG11 HG22 ' A' ' 26' ' ' VAL . 12.2 m -151.54 158.3 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 125.356 1.462 . . . . 0.0 107.348 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -111.01 164.13 15.64 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 119.588 -1.945 . . . . 0.0 111.069 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -45.38 -41.13 17.65 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 N-CA-C 117.749 2.173 . . . . 0.0 117.749 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -90.95 1.11 57.3 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 118.912 -2.368 . . . . 0.0 113.041 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -66.61 135.92 54.84 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.82 1.191 . . . . 0.0 113.419 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -67.05 151.81 46.94 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 121.001 -1.062 . . . . 0.0 111.427 171.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.58 -30.09 48.4 Favored 'Isoleucine or valine' 0 C--N 1.39 2.342 0 O-C-N 124.742 1.276 . . . . 0.0 110.51 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.85 -43.5 73.11 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.039 1.336 . . . . 0.0 113.736 170.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -73.76 -27.3 61.09 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 119.466 1.03 . . . . 0.0 112.078 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.468 HG22 HG11 ' A' ' 17' ' ' VAL . 6.5 t -67.81 -45.34 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 169.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -57.28 -40.7 78.31 Favored 'General case' 0 N--CA 1.513 2.725 0 CA-C-O 126.484 3.04 . . . . 0.0 112.703 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.04 73.49 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 111.767 -2.47 . . . . 0.0 114.414 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.46 -26.24 51.25 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.4 -35.89 34.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.281 0 O-C-N 119.511 -1.993 . . . . 0.0 108.641 169.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.342 1.9 tp-100 -53.24 -53.02 56.88 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 125.195 1.559 . . . . 0.0 113.92 168.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -49.61 -51.4 37.7 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 128.123 2.569 . . . . 0.0 113.26 169.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -67.25 -62.61 1.34 Allowed 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -106.75 -7.93 17.03 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 116.544 -1.694 . . . . 0.0 111.778 -161.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.33 11.75 64.09 Favored Glycine 1 CA--C 1.583 4.293 0 CA-C-N 122.307 2.321 . . . . 0.0 115.712 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mm -92.14 112.71 56.37 Favored Pre-proline 0 C--N 1.378 1.814 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.886 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.37 133.12 19.97 Favored 'Trans proline' 0 N--CA 1.512 2.599 0 C-N-CA 122.714 2.276 . . . . 0.0 113.346 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.39 -26.75 76.95 Favored 'Trans proline' 0 CA--C 1.48 -2.175 0 N-CA-C 117.425 2.048 . . . . 0.0 117.425 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.38 -15.58 61.85 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 125.006 1.441 . . . . 0.0 113.557 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -96.67 7.46 46.51 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 126.527 2.392 . . . . 0.0 108.963 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -112.83 153.91 27.11 Favored 'General case' 0 CA--C 1.572 1.803 0 C-N-CA 122.582 0.353 . . . . 0.0 110.991 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -147.2 121.18 9.38 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 170.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -95.12 148.92 21.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.68 -2.512 . . . . 0.0 114.9 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.4 mt -133.68 144.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 O-C-N 120.193 -1.567 . . . . 0.0 108.5 -174.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -148.0 145.14 28.4 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 114.637 -2.602 . . . . 0.0 105.734 165.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.64 30.74 16.96 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 128.472 3.608 . . . . 0.0 112.714 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.67 80.82 Favored Glycine 0 C--N 1.302 -1.339 0 N-CA-C 117.615 1.806 . . . . 0.0 117.615 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -137.87 145.66 42.45 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 118.111 0.956 . . . . 0.0 108.636 -166.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.59 142.25 27.99 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 127.379 2.925 . . . . 0.0 109.752 -170.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.07 124.86 53.57 Favored 'General case' 0 C--O 1.205 -1.273 0 O-C-N 124.847 1.342 . . . . 0.0 108.796 -171.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.29 139.98 57.31 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.08 -41.43 96.63 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 112.141 -2.3 . . . . 0.0 113.726 -167.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.39 10.13 55.89 Favored Glycine 0 CA--C 1.546 1.978 0 CA-C-O 115.01 -3.105 . . . . 0.0 111.822 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.435 HH21 ' CG ' ' A' ' 58' ' ' ASP . 19.8 mmm180 -113.04 169.23 9.08 Favored 'General case' 0 C--N 1.375 1.706 0 CA-C-N 123.055 3.427 . . . . 0.0 105.074 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -118.24 168.61 10.44 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-O 123.926 1.822 . . . . 0.0 110.428 -161.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.16 -36.01 78.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 118.74 -2.475 . . . . 0.0 114.577 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.252 43.3 t -55.27 -46.83 76.15 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 126.077 2.11 . . . . 0.0 115.048 161.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' CG ' HH21 ' A' ' 54' ' ' ARG . 73.1 m-20 -58.68 -43.2 89.86 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-O 125.618 2.628 . . . . 0.0 112.217 177.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -92.2 1.99 56.88 Favored 'General case' 0 N--CA 1.41 -2.447 0 CA-C-N 111.96 -2.382 . . . . 0.0 113.442 -173.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 t30 45.48 48.36 10.91 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 127.562 2.345 . . . . 0.0 116.982 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mt -76.73 144.87 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.788 0 CA-C-N 112.706 -2.043 . . . . 0.0 110.159 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -108.34 171.82 7.19 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.471 1.109 . . . . 0.0 111.031 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -60.87 139.57 57.94 Favored 'General case' 0 C--N 1.368 1.4 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 56.68 30.18 17.06 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.8 2.44 . . . . 0.0 115.48 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -66.87 157.9 31.95 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 121.233 -0.917 . . . . 0.0 111.795 170.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -113.14 109.09 18.21 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.871 1.32 . . . . 0.0 110.83 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -85.66 149.03 25.6 Favored 'General case' 0 CA--C 1.555 1.155 1 CA-C-N 108.125 -4.125 . . . . 0.0 110.618 169.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -118.55 131.54 56.21 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 101.452 -3.536 . . . . 0.0 101.452 -175.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 128.13 51.23 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-O 122.296 1.046 . . . . 0.0 111.323 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t -115.78 143.25 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 C-N-CA 126.521 1.928 . . . . 0.0 108.029 172.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.6 mt -96.29 157.51 15.87 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 121.489 -0.757 . . . . 0.0 110.523 -170.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -131.43 162.06 31.06 Favored 'General case' 0 C--O 1.26 1.635 0 CA-C-O 126.162 2.887 . . . . 0.0 106.882 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt -110.1 139.55 45.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 109.478 -3.51 . . . . 0.0 111.103 -172.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -63.33 141.42 58.77 Favored 'General case' 0 CA--C 1.564 1.517 0 O-C-N 119.531 -1.98 . . . . 0.0 114.506 169.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.66 141.49 7.75 Favored Glycine 0 C--N 1.364 2.137 0 O-C-N 125.402 1.688 . . . . 0.0 113.731 -172.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.488 -1.649 0 CA-C-O 115.989 -2.562 . . . . 0.0 108.366 172.074 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.54 153.71 24.73 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 124.271 1.986 . . . . 0.0 114.71 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 pt -140.01 161.16 26.17 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 O-C-N 119.748 -1.845 . . . . 0.0 109.094 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -111.54 122.52 48.05 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 112.798 -2.001 . . . . 0.0 106.524 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.73 113.75 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -85.07 123.73 30.93 Favored 'General case' 0 C--N 1.378 1.842 0 C-N-CA 123.471 0.708 . . . . 0.0 109.803 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 152.85 23.11 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 126.643 2.464 . . . . 0.0 110.075 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.77 -19.47 64.32 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.083 -2.261 . . . . 0.0 110.53 164.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -90.38 9.11 30.27 Favored 'General case' 0 C--N 1.39 2.335 0 O-C-N 127.46 2.975 . . . . 0.0 113.582 -172.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.88 37.3 16.51 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 120.453 -0.879 . . . . 0.0 114.773 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.8 168.69 19.26 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -137.36 114.18 10.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 103.12 -2.919 . . . . 0.0 103.12 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -83.38 112.58 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 111.969 -2.378 . . . . 0.0 112.469 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.7 m -81.88 118.25 22.78 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.236 -1.802 . . . . 0.0 110.15 170.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 pp -127.07 141.09 51.86 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 118.156 -1.418 . . . . 0.0 112.071 169.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -86.07 135.12 33.75 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.42 171.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.93 146.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.405 1.482 . . . . 0.0 112.162 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.62 156.41 65.12 Favored Pre-proline 0 C--N 1.372 1.585 0 C-N-CA 127.204 2.201 . . . . 0.0 109.572 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -72.23 -12.79 28.01 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 CA-C-N 124.27 2.561 . . . . 0.0 109.786 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 p -94.16 -0.84 54.99 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -65.47 149.85 49.35 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.16 -1.587 . . . . 0.0 108.896 172.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 67.0 p -97.97 155.55 17.04 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.795 1.934 . . . . 0.0 108.778 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -59.85 -34.82 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 O-C-N 118.171 -2.831 . . . . 0.0 110.464 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -42.29 -48.25 4.94 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 162.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -70.24 -32.93 71.0 Favored 'General case' 0 CA--C 1.598 2.805 0 C-N-CA 124.994 1.318 . . . . 0.0 111.313 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.57 -44.68 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.627 0 O-C-N 119.824 -1.798 . . . . 0.0 108.862 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.43 -38.53 87.61 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 127.512 3.008 . . . . 0.0 114.914 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.1 -30.59 67.83 Favored 'General case' 0 CA--C 1.581 2.148 0 O-C-N 126.107 2.13 . . . . 0.0 113.723 164.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.308 63.9 mttm -59.73 -42.94 94.27 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 115.346 -2.264 . . . . 0.0 113.784 163.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.8 mm -63.5 -33.31 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.759 0 O-C-N 125.557 1.785 . . . . 0.0 113.012 172.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.14 -41.83 84.56 Favored 'General case' 0 N--CA 1.428 -1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 111.147 173.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.57 -53.2 37.1 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.607 -1.308 . . . . 0.0 111.374 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -76.49 -24.15 53.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 116.204 -1.855 . . . . 0.0 113.515 -163.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -140.13 -8.06 1.18 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.784 1.302 . . . . 0.0 111.218 -175.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.07 31.06 44.23 Favored Glycine 0 C--N 1.364 2.131 0 CA-C-N 119.942 1.247 . . . . 0.0 114.606 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -99.64 122.15 52.26 Favored Pre-proline 0 C--O 1.255 1.366 0 C-N-CA 125.647 1.579 . . . . 0.0 111.452 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -65.75 149.26 87.06 Favored 'Trans proline' 0 C--N 1.301 -1.969 0 CA-C-O 113.788 -2.672 . . . . 0.0 111.119 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -59.2 -24.9 76.09 Favored 'Trans proline' 0 N--CA 1.513 2.671 0 C-N-CA 123.338 2.692 . . . . 0.0 117.547 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -79.79 -14.18 58.89 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.597 1.544 . . . . 0.0 108.938 -174.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -84.48 -10.72 57.22 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.698 -0.626 . . . . 0.0 111.51 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -106.07 141.09 38.03 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 117.278 -1.769 . . . . 0.0 110.465 -164.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -131.7 131.96 43.51 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.705 -3.813 . . . . 0.0 100.705 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -110.72 136.61 49.53 Favored 'General case' 0 N--CA 1.395 -3.185 0 CA-C-O 122.171 0.986 . . . . 0.0 112.336 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -122.84 133.11 69.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.131 0 CA-C-O 116.291 -1.814 . . . . 0.0 108.261 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -143.66 135.98 26.92 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 101.81 -3.404 . . . . 0.0 101.81 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.9 30.31 18.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.505 1.922 . . . . 0.0 115.048 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.29 16.81 60.83 Favored Glycine 0 C--O 1.252 1.242 0 CA-C-O 116.457 -2.301 . . . . 0.0 117.912 -169.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -122.02 151.41 40.86 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 124.408 2.051 . . . . 0.0 111.002 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.4 131.27 42.38 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 111.051 -2.795 . . . . 0.0 109.833 -174.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -97.32 128.08 43.85 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.931 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -84.65 146.03 27.68 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.74 -46.24 90.48 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 118.928 2.936 . . . . 0.0 118.928 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.83 -17.5 79.31 Favored Glycine 0 N--CA 1.489 2.167 0 CA-C-N 120.555 1.525 . . . . 0.0 114.177 -174.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -67.9 138.69 56.21 Favored 'General case' 0 C--O 1.203 -1.352 0 O-C-N 127.073 2.278 . . . . 0.0 112.878 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 68.5 p -82.42 166.68 19.18 Favored 'General case' 0 CA--C 1.558 1.265 0 O-C-N 119.9 -1.75 . . . . 0.0 113.651 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.42 -41.06 88.67 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 112.593 -2.094 . . . . 0.0 109.931 169.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -54.09 -45.33 71.77 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -53.33 -37.92 62.75 Favored 'General case' 0 C--O 1.251 1.18 0 C-N-CA 126.735 2.014 . . . . 0.0 113.077 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -97.87 0.03 45.91 Favored 'General case' 0 CA--C 1.485 -1.519 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.275 25.5 m120 62.2 44.45 7.71 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.854 1.662 . . . . 0.0 113.688 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 mt -83.57 118.33 30.87 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-O 122.289 1.042 . . . . 0.0 111.184 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.79 167.44 11.26 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.211 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 142.79 12.49 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.264 37.9 mt-10 71.56 16.55 5.84 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.744 174.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.1 m -75.74 157.89 32.95 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 118.648 -1.221 . . . . 0.0 114.242 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.2 m -110.38 116.63 31.78 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.023 -2.298 . . . . 0.0 105.032 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.3 163.24 13.16 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 122.898 1.333 . . . . 0.0 112.584 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -117.8 139.88 50.46 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 118.822 -2.424 . . . . 0.0 110.253 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -114.73 128.33 56.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.575 2.35 . . . . 0.0 109.225 -175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.7 t -117.24 121.44 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.8 tp -85.52 123.79 31.35 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 126.627 2.455 . . . . 0.0 108.002 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -98.68 121.95 41.27 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-O 117.057 -1.449 . . . . 0.0 110.495 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 mt -74.0 147.73 42.69 Favored 'General case' 0 C--N 1.371 1.523 0 O-C-N 124.079 0.862 . . . . 0.0 110.212 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -56.05 139.05 48.11 Favored 'General case' 0 C--N 1.369 1.457 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 166.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.38 0.24 43.67 Favored Glycine 0 CA--C 1.547 2.057 0 O-C-N 119.129 -2.232 . . . . 0.0 109.366 -172.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.481 0 CA-C-O 115.89 -2.617 . . . . 0.0 112.236 160.513 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.528 3.446 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.55 149.6 24.25 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 126.367 2.292 . . . . 0.0 115.863 169.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 pt -138.7 168.11 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 112.415 -2.175 . . . . 0.0 107.556 164.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.14 138.88 53.34 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.78 -1.2 . . . . 0.0 110.714 -174.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.78 127.84 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 168.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -86.12 124.21 32.28 Favored 'General case' 0 C--N 1.37 1.47 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 165.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -101.42 140.61 35.47 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 170.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.7 mt -86.36 13.1 8.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 109.08 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.2 p -91.31 -6.81 52.55 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.911 -1.118 . . . . 0.0 111.325 166.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.41 35.16 2.52 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 124.944 1.403 . . . . 0.0 112.044 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -136.4 157.78 45.98 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.99 1.895 . . . . 0.0 113.63 170.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 m -105.89 132.24 52.24 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.224 1.012 . . . . 0.0 109.136 173.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -108.86 143.14 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 m -113.88 126.09 54.79 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.47 0.481 . . . . 0.0 110.614 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 29' ' ' LYS . 97.2 mt -112.78 126.95 55.98 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -91.65 122.22 34.02 Favored 'General case' 0 C--N 1.378 1.807 0 CA-C-O 124.27 1.986 . . . . 0.0 110.038 165.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.63 163.21 31.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.327 0 CA-C-N 111.124 -2.762 . . . . 0.0 111.525 -174.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -112.73 143.42 28.98 Favored Pre-proline 0 N--CA 1.483 1.214 1 N-CA-C 99.797 -4.149 . . . . 0.0 99.797 174.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -65.23 -6.46 13.25 Favored 'Trans proline' 0 N--CA 1.508 2.332 0 CA-C-N 124.146 2.517 . . . . 0.0 117.337 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -87.4 -3.97 59.02 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 117.995 -1.482 . . . . 0.0 112.228 166.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -71.72 145.26 48.91 Favored 'General case' 0 C--N 1.362 1.132 0 CA-C-N 122.369 2.35 . . . . 0.0 114.248 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 163.48 25.05 Favored 'General case' 0 C--O 1.26 1.645 0 O-C-N 119.152 -2.217 . . . . 0.0 114.058 172.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.09 -34.2 68.65 Favored 'Isoleucine or valine' 0 C--N 1.373 1.6 0 CA-C-N 110.319 -3.128 . . . . 0.0 111.737 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -58.08 -40.49 81.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.361 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -66.12 -42.24 89.44 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 116.97 -1.49 . . . . 0.0 112.799 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.43 -43.87 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 126.46 2.35 . . . . 0.0 110.382 170.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -61.16 -31.31 71.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 119.997 -1.69 . . . . 0.0 113.872 171.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.59 -26.73 66.42 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 119.169 -1.013 . . . . 0.0 113.149 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HB3' HD22 ' A' ' 15' ' ' LEU . 77.4 mttt -87.09 -28.7 22.37 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.001 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.02 -45.33 98.96 Favored 'Isoleucine or valine' 0 C--N 1.406 3.03 0 O-C-N 125.919 2.012 . . . . 0.0 110.073 164.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -64.48 -45.16 88.55 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.354 1.034 . . . . 0.0 110.528 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.23 -44.45 95.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 117.052 -1.451 . . . . 0.0 110.986 176.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -70.8 -56.69 5.78 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 119.082 2.993 . . . . 0.0 119.082 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -106.55 -3.25 21.01 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 123.792 0.682 . . . . 0.0 112.665 -165.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 28.1 64.04 Favored Glycine 0 N--CA 1.499 2.893 0 O-C-N 119.716 -1.865 . . . . 0.0 113.465 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.3 mt -98.39 128.73 32.29 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -54.23 129.98 37.32 Favored 'Trans proline' 0 N--CA 1.533 3.84 0 N-CA-C 117.583 2.109 . . . . 0.0 117.583 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -63.71 -19.01 66.53 Favored 'Trans proline' 0 N--CA 1.513 2.645 0 CA-C-N 121.453 1.555 . . . . 0.0 114.36 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.59 -34.95 67.67 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -97.76 -5.48 34.88 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 123.086 2.676 . . . . 0.0 114.182 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -84.94 128.41 34.61 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -123.53 127.79 48.83 Favored 'General case' 0 N--CA 1.51 2.557 0 O-C-N 124.411 1.07 . . . . 0.0 110.749 155.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.97 143.81 26.6 Favored 'General case' 0 C--N 1.366 1.286 0 CA-C-O 116.821 -1.562 . . . . 0.0 107.775 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -126.81 124.02 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.825 0 O-C-N 127.149 2.78 . . . . 0.0 105.93 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -118.63 95.83 5.02 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 123.949 1.833 . . . . 0.0 107.671 -170.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.82 42.97 0.68 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 118.035 2.605 . . . . 0.0 118.035 -163.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 -21.79 35.46 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 117.304 -1.831 . . . . 0.0 111.394 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -87.7 120.47 29.06 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 118.847 1.324 . . . . 0.0 111.456 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -81.1 128.25 33.53 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.093 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -75.87 162.79 27.83 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 125.505 1.753 . . . . 0.0 111.115 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -112.49 143.52 43.5 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 104.327 -2.471 . . . . 0.0 104.327 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -58.56 -40.87 84.3 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 125.53 1.769 . . . . 0.0 115.464 -168.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.62 -4.49 76.2 Favored Glycine 0 CA--C 1.551 2.304 0 O-C-N 119.136 -2.227 . . . . 0.0 114.971 -165.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -83.33 158.62 22.11 Favored 'General case' 0 N--CA 1.511 2.606 0 CA-C-N 119.367 1.584 . . . . 0.0 109.954 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.7 p -90.93 153.47 20.16 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.579 1.657 . . . . 0.0 111.552 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.18 -35.95 60.4 Favored 'General case' 0 CA--C 1.577 2.006 0 O-C-N 119.877 -1.764 . . . . 0.0 110.304 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.8 t -59.37 -30.1 68.16 Favored 'General case' 0 CA--C 1.58 2.115 0 O-C-N 119.794 -1.816 . . . . 0.0 112.971 173.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.96 -21.0 60.18 Favored 'General case' 0 C--N 1.389 2.309 0 CA-C-N 119.888 1.222 . . . . 0.0 111.439 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -99.79 0.03 40.79 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 116.753 -1.594 . . . . 0.0 113.628 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.266 59.7 m-20 40.2 49.54 2.45 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 125.5 2.571 . . . . 0.0 116.399 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.82 122.13 31.98 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-N 113.694 -1.594 . . . . 0.0 108.171 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -112.65 169.35 8.96 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 110.668 -2.969 . . . . 0.0 113.807 -173.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 141.87 44.66 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 68.91 15.6 8.88 Favored 'General case' 0 N--CA 1.491 1.579 1 O-C-N 129.18 4.05 . . . . 0.0 112.816 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -73.7 160.82 30.99 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.685 -1.26 . . . . 0.0 112.462 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.0 m -123.88 112.47 17.29 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.845 1.658 . . . . 0.0 108.503 -165.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.9 mt -111.09 149.6 30.59 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-O 123.689 1.709 . . . . 0.0 109.319 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -109.89 137.68 47.33 Favored 'General case' 0 CA--C 1.481 -1.682 0 O-C-N 119.304 -2.122 . . . . 0.0 106.579 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.75 109.64 21.58 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.778 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -103.19 142.05 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.6 mt -116.81 127.35 54.23 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-O 122.045 0.926 . . . . 0.0 110.549 -165.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -61.64 133.82 56.07 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-O 125.109 2.385 . . . . 0.0 114.184 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.65 134.02 34.0 Favored 'General case' 0 C--O 1.188 -2.132 0 CA-C-N 110.727 -2.942 . . . . 0.0 114.5 156.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -48.75 137.09 12.76 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 172.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.99 174.73 19.98 Favored Glycine 0 C--N 1.391 3.632 0 CA-C-O 117.89 -1.506 . . . . 0.0 114.628 171.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.57 0 CA-C-O 114.727 -3.263 . . . . 0.0 111.685 -171.832 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.293 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.593 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -87.55 135.15 33.47 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 119.237 -0.985 . . . . 0.0 112.131 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -126.54 167.53 21.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 104.94 -2.245 . . . . 0.0 104.94 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -122.09 153.75 38.27 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 123.75 1.738 . . . . 0.0 109.022 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.431 HG13 ' HB2' ' A' ' 67' ' ' LEU . 2.9 t -136.28 125.84 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 O-C-N 120.77 -1.206 . . . . 0.0 107.845 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -106.11 127.97 53.56 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -89.48 155.95 18.96 Favored 'General case' 0 C--O 1.258 1.513 0 CA-C-O 124.96 2.314 . . . . 0.0 109.091 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.64 -37.34 81.19 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.073 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -32.82 68.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 173.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.56 26.46 2.38 Favored Glycine 0 CA--C 1.474 -2.514 0 CA-C-O 118.018 -1.434 . . . . 0.0 114.819 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -108.43 149.94 28.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -116.27 114.07 23.87 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -86.05 138.23 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -109.81 105.44 14.66 Favored 'General case' 0 C--N 1.395 2.554 0 N-CA-C 104.727 -2.323 . . . . 0.0 104.727 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -113.43 124.82 53.33 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 101.119 -3.66 . . . . 0.0 101.119 -161.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -96.71 122.84 40.09 Favored 'General case' 0 N--CA 1.536 3.833 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.992 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.04 166.0 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.798 0 O-C-N 118.09 -2.881 . . . . 0.0 108.341 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -96.13 138.77 21.59 Favored Pre-proline 0 C--O 1.203 -1.37 0 CA-C-N 110.727 -2.942 . . . . 0.0 103.885 171.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.22 -28.06 69.28 Favored 'Trans proline' 0 N--CA 1.533 3.852 0 CA-C-N 122.738 2.014 . . . . 0.0 114.869 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.3 p -89.23 20.76 3.56 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 117.757 -1.116 . . . . 0.0 113.489 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.56 144.99 35.06 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 125.157 1.536 . . . . 0.0 114.398 166.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 26' ' ' VAL . 43.8 p -84.02 160.8 20.92 Favored 'General case' 0 N--CA 1.52 3.035 0 CA-C-N 113.487 -1.688 . . . . 0.0 108.271 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 50' ' ' LEU . 38.9 mm -62.88 -34.84 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 119.422 -2.049 . . . . 0.0 111.239 171.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.42 -42.93 83.29 Favored 'General case' 0 CA--C 1.572 1.827 0 C-N-CA 117.801 -1.56 . . . . 0.0 114.753 170.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -64.46 -37.37 87.3 Favored 'General case' 1 N--CA 1.54 4.048 0 C-N-CA 125.625 1.57 . . . . 0.0 110.799 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 22' ' ' THR . 79.7 t -60.76 -41.74 89.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 126.98 2.675 . . . . 0.0 110.411 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.28 -42.03 97.96 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.716 1.606 . . . . 0.0 112.477 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.56 64.3 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 123.287 1.518 . . . . 0.0 112.575 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -73.37 -37.47 66.03 Favored 'General case' 0 C--O 1.269 2.101 0 O-C-N 119.842 -1.786 . . . . 0.0 111.47 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.85 -30.11 49.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 O-C-N 123.686 0.617 . . . . 0.0 111.197 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -59.92 -49.46 77.6 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 172.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.577 1.551 . . . . 0.0 109.784 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.53 -42.68 99.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 119.32 3.082 . . . . 0.0 119.32 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -121.9 -16.96 7.47 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.183 1.81 . . . . 0.0 112.832 -172.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.88 56.56 8.03 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 -168.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.1 mt -124.47 120.72 25.96 Favored Pre-proline 0 C--N 1.394 2.507 0 CA-C-N 120.345 2.072 . . . . 0.0 106.071 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.34 141.4 95.63 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 CA-C-O 114.167 -2.514 . . . . 0.0 111.492 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -33.6 -44.72 0.32 Allowed 'Trans proline' 0 N--CA 1.527 3.45 1 C-N-CA 128.398 6.065 . . . . 0.0 117.007 172.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -86.68 -5.03 59.24 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.17 -21.81 36.34 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 117.456 -3.278 . . . . 0.0 110.529 167.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.79 122.9 30.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 127.358 2.911 . . . . 0.0 114.236 -170.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -118.21 123.81 46.39 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 50' ' ' LEU . 16.0 mt -105.23 133.84 49.33 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 124.688 2.185 . . . . 0.0 114.466 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -126.52 136.65 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.615 -169.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -131.25 130.05 42.37 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.24 33.58 11.52 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 162.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.19 74.65 Favored Glycine 0 CA--C 1.553 2.444 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.032 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -148.72 148.93 30.59 Favored 'General case' 0 CA--C 1.581 2.137 0 CA-C-N 118.842 1.321 . . . . 0.0 111.75 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.02 136.66 37.26 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 120.28 -1.512 . . . . 0.0 112.203 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 23' ' ' ILE . 20.3 mt -70.73 139.5 51.13 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 117.622 -1.18 . . . . 0.0 113.325 175.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.96 139.46 44.87 Favored 'General case' 0 C--N 1.391 2.384 0 CA-C-N 118.763 0.71 . . . . 0.0 112.418 163.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -62.51 -40.67 97.47 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.51 0.87 75.02 Favored Glycine 0 N--CA 1.488 2.114 0 CA-C-N 120.167 1.349 . . . . 0.0 114.773 -171.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -83.16 150.06 26.48 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 116.307 -1.806 . . . . 0.0 111.228 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.1 p -96.65 164.58 12.53 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 125.315 1.634 . . . . 0.0 111.056 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.04 -19.98 63.27 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 123.626 1.679 . . . . 0.0 113.506 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -70.3 -35.15 73.5 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 116.465 -1.731 . . . . 0.0 113.744 168.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -65.33 -32.93 74.83 Favored 'General case' 0 C--N 1.366 1.321 0 CA-C-N 120.926 1.694 . . . . 0.0 111.75 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -86.37 -4.22 59.13 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 171.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.4 m120 57.24 38.66 28.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.181 0.515 . . . . 0.0 112.086 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.97 124.99 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.774 0.797 . . . . 0.0 110.988 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.14 153.15 26.17 Favored 'General case' 0 C--O 1.191 -2.0 0 CA-C-N 113.832 -1.531 . . . . 0.0 113.856 173.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -60.68 149.87 33.95 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.684 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 66.1 14.29 9.55 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 124.87 1.268 . . . . 0.0 114.38 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -95.65 170.67 9.17 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 119.234 0.925 . . . . 0.0 109.597 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.1 m -122.66 124.74 44.13 Favored 'General case' 0 C--O 1.19 -2.045 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -167.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.431 ' HB2' HG13 ' A' ' 5' ' ' VAL . 25.6 mt -90.7 139.67 30.5 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 165.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -94.53 144.37 25.64 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 122.84 1.305 . . . . 0.0 109.527 164.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 tp -114.06 128.93 56.6 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t -112.32 139.85 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 128.679 3.737 . . . . 0.0 110.059 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.4 mt -115.41 136.88 52.63 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 120.454 -1.403 . . . . 0.0 111.517 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -64.67 130.65 44.39 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 126.156 2.884 . . . . 0.0 110.702 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 tp -77.44 111.46 13.17 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 111.133 -2.758 . . . . 0.0 110.171 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -149.72 161.5 42.1 Favored 'General case' 0 C--N 1.373 1.62 0 O-C-N 124.851 1.345 . . . . 0.0 110.878 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.22 165.4 27.07 Favored Glycine 0 CA--C 1.556 2.65 0 O-C-N 127.21 2.819 . . . . 0.0 115.63 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.139 0 N-CA-C 107.698 -2.161 . . . . 0.0 107.698 -179.373 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ptt? . . . . . 0 N--CA 1.5 2.056 0 N-CA-C 106.46 -1.682 . . . . 0.0 106.46 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -100.43 147.62 25.65 Favored 'General case' 0 N--CA 1.509 2.498 0 CA-C-N 114.345 -1.298 . . . . 0.0 113.71 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -141.16 159.55 22.87 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -120.83 133.29 55.32 Favored 'General case' 0 CA--C 1.475 -1.924 0 CA-C-N 109.836 -3.347 . . . . 0.0 105.018 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.46 123.98 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.042 0 O-C-N 125.204 1.565 . . . . 0.0 108.008 175.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -103.62 135.29 45.48 Favored 'General case' 0 C--O 1.202 -1.433 0 C-N-CA 127.46 2.304 . . . . 0.0 108.135 -171.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -95.47 166.11 12.02 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 tp -66.96 -30.67 70.86 Favored 'General case' 0 CA--C 1.576 1.967 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -92.76 17.58 10.19 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-O 116.522 -1.704 . . . . 0.0 115.034 168.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 -18.22 33.24 Favored Glycine 0 N--CA 1.514 3.838 0 CA-C-N 121.307 1.867 . . . . 0.0 115.437 158.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -68.54 151.57 46.58 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.489 -1.243 . . . . 0.0 113.175 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.0 m -125.22 133.44 52.72 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 123.519 2.872 . . . . 0.0 108.738 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.43 128.95 63.6 Favored 'Isoleucine or valine' 0 C--N 1.401 2.807 0 O-C-N 118.697 -2.502 . . . . 0.0 107.735 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -108.11 116.65 32.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.589 1.54 . . . . 0.0 107.396 -166.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD11 ' CG1' ' A' ' 30' ' ' ILE . 12.1 mt -115.62 135.25 54.25 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 112.146 -2.297 . . . . 0.0 110.686 -169.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -101.45 119.99 39.6 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.63 169.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 C-N-CA 126.863 2.065 . . . . 0.0 110.054 -164.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -119.41 154.54 54.2 Favored Pre-proline 0 C--N 1.368 1.401 0 O-C-N 120.698 -1.251 . . . . 0.0 113.853 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -41.75 -46.75 6.44 Favored 'Trans proline' 1 N--CA 1.547 4.673 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 171.253 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 p -86.74 25.84 1.21 Allowed 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 125.729 1.612 . . . . 0.0 110.684 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -100.19 136.97 39.26 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 168.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -78.44 162.61 26.27 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 124.478 2.085 . . . . 0.0 112.471 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.42 -34.99 73.77 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 113.202 -1.817 . . . . 0.0 109.625 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.77 -42.91 76.21 Favored 'General case' 0 C--N 1.373 1.619 0 CA-C-O 122.984 1.373 . . . . 0.0 114.308 171.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -67.01 -43.24 83.37 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-N 111.736 -2.484 . . . . 0.0 114.634 172.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.9 -42.56 95.15 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.205 0 O-C-N 119.549 -1.97 . . . . 0.0 109.667 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.48 -44.57 95.8 Favored 'General case' 0 N--CA 1.527 3.398 0 CA-C-O 122.874 1.321 . . . . 0.0 111.139 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.78 68.23 Favored 'General case' 0 CA--C 1.56 1.335 0 O-C-N 118.598 -2.564 . . . . 0.0 113.783 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -68.17 -35.7 78.46 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.113 0.87 . . . . 0.0 110.442 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CG1' HD11 ' A' ' 15' ' ' LEU . 79.5 mt -74.51 -25.06 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.803 1.241 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.39 -45.78 87.67 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 127.563 2.345 . . . . 0.0 113.51 170.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -74.71 -21.96 59.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 126.307 2.254 . . . . 0.0 111.387 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -85.36 -62.1 1.61 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 122.615 1.198 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -115.29 14.71 16.9 Favored 'General case' 0 C--O 1.189 -2.121 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.908 -169.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.68 30.15 66.67 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 119.923 -1.735 . . . . 0.0 113.64 168.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mt -95.86 120.01 63.85 Favored Pre-proline 0 CA--C 1.576 1.979 0 CA-C-N 119.608 1.704 . . . . 0.0 110.339 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.97 130.9 8.19 Favored 'Trans proline' 0 N--CA 1.518 2.968 0 CA-C-N 120.561 1.236 . . . . 0.0 114.165 162.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -68.52 -34.35 20.22 Favored 'Trans proline' 0 N--CA 1.518 2.952 0 CA-C-O 122.059 0.774 . . . . 0.0 112.839 -160.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.26 -10.52 57.6 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.094 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -71.64 -14.3 62.02 Favored 'General case' 0 C--N 1.371 1.524 0 CA-C-N 122.877 2.58 . . . . 0.0 111.485 164.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -83.29 125.2 31.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 118.362 -2.711 . . . . 0.0 114.961 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.294 85.8 mtt180 -106.68 111.9 24.65 Favored 'General case' 0 N--CA 1.418 -2.028 0 C-N-CA 125.189 1.396 . . . . 0.0 110.792 163.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 43' ' ' LEU . 8.4 mt -99.28 111.02 23.48 Favored 'General case' 0 CA--C 1.476 -1.898 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.4 mt -113.6 134.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.89 0 CA-C-O 124.441 2.067 . . . . 0.0 106.127 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -133.83 125.72 29.0 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 119.056 -2.277 . . . . 0.0 107.322 170.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.93 61.79 2.93 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 125.989 2.055 . . . . 0.0 113.414 166.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 5.2 88.59 Favored Glycine 0 N--CA 1.509 3.536 0 CA-C-N 113.324 -1.762 . . . . 0.0 114.751 165.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -154.49 163.85 39.56 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -71.63 150.17 44.89 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 mt -85.16 126.01 33.29 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.576 160.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.17 140.64 58.43 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 123.599 1.666 . . . . 0.0 113.99 166.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.38 -36.41 79.13 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -167.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.91 5.57 70.15 Favored Glycine 0 N--CA 1.512 3.705 0 C-N-CA 127.762 2.601 . . . . 0.0 111.59 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -110.95 154.92 23.43 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.083 1.942 . . . . 0.0 106.111 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -90.16 159.85 16.55 Favored 'General case' 0 N--CA 1.426 -1.633 0 O-C-N 124.088 0.867 . . . . 0.0 112.381 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 118.774 -2.454 . . . . 0.0 111.783 162.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -68.8 -33.4 73.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.954 1.252 . . . . 0.0 110.497 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -60.25 -45.76 92.15 Favored 'General case' 0 C--N 1.39 2.352 0 C-N-CA 127.456 2.302 . . . . 0.0 113.487 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -86.32 -6.8 58.87 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.793 1.308 . . . . 0.0 108.425 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 77.52 29.72 0.52 Allowed 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -95.35 123.91 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.191 0 CA-C-O 115.558 -2.163 . . . . 0.0 108.562 -164.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -93.77 162.39 13.94 Favored 'General case' 0 C--O 1.194 -1.86 0 O-C-N 126.708 2.505 . . . . 0.0 111.435 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.57 151.95 0.07 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 166.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.37 44.6 mt-10 72.99 -9.88 1.07 Allowed 'General case' 0 C--O 1.194 -1.854 0 O-C-N 119.348 -2.095 . . . . 0.0 114.423 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -52.42 147.1 8.56 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 122.725 2.511 . . . . 0.0 116.991 172.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -99.91 114.34 27.51 Favored 'General case' 0 C--N 1.373 1.61 0 N-CA-C 105.669 -1.975 . . . . 0.0 105.669 175.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.35 159.02 16.21 Favored 'General case' 0 CA--C 1.491 -1.312 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -117.58 142.26 47.4 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 120.803 1.638 . . . . 0.0 109.652 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.72 121.81 43.62 Favored 'General case' 0 N--CA 1.52 3.035 0 O-C-N 128.347 3.53 . . . . 0.0 112.795 -174.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t -122.25 153.35 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 169.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.8 mt -115.18 144.74 43.22 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 127.03 2.132 . . . . 0.0 109.979 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . 0.252 72.9 mtt85 -87.26 137.17 32.57 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 118.9 -2.375 . . . . 0.0 116.489 -169.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.4 mt -123.38 2.85 9.11 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 119.033 -2.292 . . . . 0.0 108.937 166.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -155.77 142.17 18.55 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 126.008 2.068 . . . . 0.0 107.424 170.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -40.29 149.66 0.15 Allowed Glycine 0 C--N 1.375 2.735 0 N-CA-C 120.484 2.954 . . . . 0.0 120.484 -174.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 O-C-N 121.404 -1.057 . . . . 0.0 114.192 174.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -85.02 145.15 27.84 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-O 124.028 1.871 . . . . 0.0 109.603 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 pt -128.52 159.34 40.2 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 CA-C-N 111.288 -2.687 . . . . 0.0 106.006 164.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -109.41 135.14 50.93 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 119.321 -0.951 . . . . 0.0 109.335 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.36 115.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.846 0 O-C-N 124.887 1.367 . . . . 0.0 108.675 169.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.365 47.0 mtpt -107.08 118.25 36.2 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 123.725 1.726 . . . . 0.0 114.297 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.3 p -61.63 163.79 6.74 Favored 'General case' 0 C--N 1.423 3.786 0 O-C-N 117.935 -2.978 . . . . 0.0 114.072 171.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.2 -39.37 94.46 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 121.376 -0.828 . . . . 0.0 112.677 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.261 25.5 p -78.75 -17.23 56.14 Favored 'General case' 0 C--N 1.378 1.83 0 O-C-N 117.924 -2.985 . . . . 0.0 116.259 174.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.6 4.24 Favored Glycine 0 CA--C 1.557 2.711 0 CA-C-O 113.553 -3.915 . . . . 0.0 121.359 164.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -78.29 134.07 37.57 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 121.146 2.473 . . . . 0.0 114.06 165.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.8 m -96.55 126.29 41.63 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 124.88 1.362 . . . . 0.0 108.853 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.43 113.24 43.68 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 173.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.5 m -90.66 114.26 26.51 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 112.907 -1.951 . . . . 0.0 107.153 -172.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 mt -110.32 137.59 47.84 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 123.458 0.703 . . . . 0.0 112.054 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -101.33 118.22 36.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.616 -1.174 . . . . 0.0 111.173 172.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -147.56 160.62 8.06 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 O-C-N 124.739 1.274 . . . . 0.0 107.967 -174.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 31.0 mt-10 -100.77 165.59 14.02 Favored Pre-proline 0 CA--C 1.572 1.809 0 CA-C-O 117.248 -1.358 . . . . 0.0 109.0 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.57 -32.13 79.67 Favored 'Trans proline' 0 N--CA 1.531 3.692 0 CA-C-N 122.894 2.069 . . . . 0.0 116.097 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -93.79 5.85 50.31 Favored 'General case' 0 CA--C 1.567 1.611 0 O-C-N 120.389 -1.445 . . . . 0.0 110.595 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.53 154.4 32.61 Favored 'General case' 0 C--N 1.38 1.916 0 CA-C-O 123.442 1.591 . . . . 0.0 112.601 157.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.6 p -112.52 171.67 7.38 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 113.63 -1.623 . . . . 0.0 112.294 -164.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.16 -35.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.56 166.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.32 -36.14 81.26 Favored 'General case' 0 N--CA 1.518 2.975 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.949 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -60.39 -44.17 95.92 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.989 169.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.86 -47.06 89.94 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 CA-C-N 120.032 1.287 . . . . 0.0 112.675 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.68 -45.22 89.93 Favored 'General case' 0 C--N 1.375 1.676 0 CA-C-N 121.065 1.757 . . . . 0.0 115.095 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . 0.254 . . -57.37 -43.43 83.57 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 125.022 2.344 . . . . 0.0 112.053 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -66.29 -29.45 69.67 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 174.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -83.83 -25.31 7.6 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 125.512 1.758 . . . . 0.0 112.821 171.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.99 -50.0 70.07 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 157.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -61.5 -39.83 92.39 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 122.611 1.196 . . . . 0.0 114.003 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -80.93 -77.49 0.2 Allowed 'General case' 0 C--N 1.364 1.226 0 CA-C-O 114.774 -2.536 . . . . 0.0 111.675 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.301 76.7 mm-40 -88.4 -4.88 58.57 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.66 24.25 33.69 Favored Glycine 0 C--O 1.214 -1.129 0 O-C-N 127.255 2.847 . . . . 0.0 115.515 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.8 mt -96.27 132.53 26.51 Favored Pre-proline 0 N--CA 1.483 1.19 0 CA-C-O 116.427 -1.749 . . . . 0.0 111.733 -164.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -55.01 131.69 47.92 Favored 'Trans proline' 0 CA--C 1.563 1.955 0 C-N-CA 122.162 1.908 . . . . 0.0 112.367 171.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -47.95 -35.92 26.16 Favored 'Trans proline' 0 N--CA 1.508 2.366 1 C-N-CA 126.313 4.675 . . . . 0.0 114.032 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.7 -16.92 60.1 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-N 119.856 1.207 . . . . 0.0 113.32 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -87.26 -13.41 43.84 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 119.875 -1.765 . . . . 0.0 107.857 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.85 131.26 38.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 -168.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.08 113.7 23.52 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 160.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -105.77 124.61 49.85 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -123.18 133.5 68.93 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-O 124.135 1.922 . . . . 0.0 108.936 -163.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -146.72 147.2 30.72 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 104.986 -2.227 . . . . 0.0 104.986 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.91 36.17 23.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.072 1.749 . . . . 0.0 114.713 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.75 11.86 85.02 Favored Glycine 0 C--N 1.3 -1.422 0 N-CA-C 118.109 2.004 . . . . 0.0 118.109 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -149.75 153.92 37.66 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 119.846 1.823 . . . . 0.0 107.078 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.88 124.76 24.58 Favored 'General case' 0 C--O 1.258 1.508 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.104 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -66.71 147.67 52.95 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 112.495 -2.139 . . . . 0.0 113.688 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -104.26 140.89 37.21 Favored 'General case' 0 CA--C 1.578 2.041 0 O-C-N 124.428 1.08 . . . . 0.0 111.764 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.63 -50.52 24.2 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.56 -6.46 81.07 Favored Glycine 0 C--O 1.203 -1.805 0 CA-C-O 117.981 -1.455 . . . . 0.0 115.406 -170.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -92.33 166.26 12.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 123.359 1.552 . . . . 0.0 109.909 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -99.95 164.15 12.13 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.164 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.16 -30.38 71.54 Favored 'General case' 0 C--O 1.28 2.697 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.787 162.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -61.66 -39.94 93.14 Favored 'General case' 0 C--N 1.379 1.865 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 166.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.18 -33.37 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.325 1.05 . . . . 0.0 113.763 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -95.6 -5.31 42.81 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.43 64.95 0.78 Allowed 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 125.023 1.329 . . . . 0.0 110.761 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.2 mm -100.23 110.47 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 CA-C-O 125.921 2.772 . . . . 0.0 108.782 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -76.4 167.92 20.99 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 110.046 -3.252 . . . . 0.0 116.548 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -69.57 116.81 10.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.806 -166.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 82.8 29.56 0.1 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.692 2.187 . . . . 0.0 108.656 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 t -77.2 153.88 33.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 118.954 -2.341 . . . . 0.0 116.499 169.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.1 m -102.04 121.16 41.65 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 118.614 -2.554 . . . . 0.0 112.516 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.89 141.25 31.1 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 125.286 2.47 . . . . 0.0 111.498 161.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -89.67 137.67 32.13 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 119.96 -1.712 . . . . 0.0 109.117 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.9 tp -120.36 128.49 53.29 Favored 'General case' 0 C--O 1.264 1.829 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.5 t -134.56 143.88 36.56 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.406 0 N-CA-C 102.017 -3.327 . . . . 0.0 102.017 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.6 mt -105.33 153.83 21.1 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 123.874 0.734 . . . . 0.0 110.834 -169.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -66.98 127.82 33.99 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 170.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -89.29 134.98 33.83 Favored 'General case' 0 N--CA 1.408 -2.541 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -106.89 140.48 39.64 Favored 'General case' 0 N--CA 1.414 -2.273 0 CA-C-O 123.23 1.49 . . . . 0.0 109.345 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.93 -140.81 15.85 Favored Glycine 0 N--CA 1.481 1.673 0 N-CA-C 106.078 -2.809 . . . . 0.0 106.078 -173.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.849 0 CA-C-O 116.942 -2.032 . . . . 0.0 113.44 172.498 . . . . . . . . 0 0 . 1 stop_ save_