data_6bvw_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 6bvw _Structure_validation_residue.Date_analyzed 2018-12-14 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' ' ' CYS . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.37 . . . . 70.44 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.3 p -101.49 -175.47 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.204 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.84 19.18 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 75.43 111.063 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.2 t -55.95 161.26 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 70.34 110.883 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.2 tp -128.11 103.89 20.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 73.11 111.101 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 168.07 69.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 -1.799 . . . . 72.21 112.277 -0.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 150.66 68.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 74.45 112.268 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -118.14 152.79 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 71.31 111.107 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -140.29 109.14 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.963 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.833 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.059 0.457 . . . . 61.12 110.823 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 t -88.65 -171.14 3.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 75.45 111.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.17 -20.78 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 74.45 111.063 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -57.1 179.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.11 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.487 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 2.6 tp -135.67 130.27 18.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 75.2 111.127 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.8 Cg_endo -69.71 160.78 87.3 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.757 -1.768 . . . . 75.54 112.275 -0.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 160.96 47.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.659 2.239 . . . . 61.23 112.378 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.2 pt -138.91 153.01 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 71.01 111.088 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -135.29 109.47 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 61.31 110.842 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.863 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.2 m . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.97 0.414 . . . . 74.31 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -96.82 16.27 19.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.128 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.65 62.9 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 71.54 111.103 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -115.93 -178.61 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.1 110.832 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.2 mm -139.32 102.8 7.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.69 . . . . 70.44 111.196 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 148.25 86.56 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 -1.795 . . . . 72.11 112.218 0.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 137.84 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 72.23 112.299 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.19 134.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 71.33 111.127 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -111.97 125.94 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.935 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 72.13 110.919 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.915 0.388 . . . . 70.43 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -149.91 28.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.4 111.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.73 139.82 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 43.53 111.125 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -59.01 164.88 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.902 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.2 tp -51.02 129.24 29.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 75.13 111.197 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.7 Cg_endo -69.73 137.62 44.71 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 -1.813 . . . . 74.43 112.343 -0.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 120.22 7.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.608 2.205 . . . . 74.41 112.362 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.0 mt -103.49 112.82 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.21 111.119 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m -100.29 132.19 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 70.22 110.802 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.881 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.3 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.97 0.414 . . . . 74.52 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p -108.63 -163.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 75.44 111.043 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.9 64.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.103 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 168.42 10.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.839 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.31 105.52 21.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 62.32 111.086 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 168.32 68.11 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.676 -1.802 . . . . 72.42 112.294 -0.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 141.8 45.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.232 . . . . 71.43 112.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 134.61 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 62.13 111.107 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -106.03 155.76 19.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.807 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.86 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.958 0.408 . . . . 75.43 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -152.72 28.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 70.04 111.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.74 137.07 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.2 111.091 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -51.48 159.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 65.24 110.897 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 35.8 mm -50.62 131.76 27.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.705 0.764 . . . . 75.52 111.095 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.81 146.5 82.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.706 -1.789 . . . . 44.05 112.348 -0.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 124.61 11.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 73.41 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.09 111.78 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 75.31 111.155 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.4 121.87 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.829 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 75.25 110.857 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.7 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.904 0.383 . . . . 63.12 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.3 p -109.0 -167.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 74.41 111.162 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.34 68.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 70.44 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -115.79 166.76 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 41.13 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 tp -127.56 104.36 21.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 75.4 111.178 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.33 63.7 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 -1.797 . . . . 60.2 112.357 -0.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.44 50.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.246 . . . . 74.41 112.336 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 135.34 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 73.21 111.169 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -109.28 151.64 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 70.01 110.842 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.97 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.825 0.345 . . . . 65.1 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -155.72 28.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.219 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.42 139.85 27.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 74.03 111.044 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 m -55.74 160.52 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 72.22 110.828 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.3 tp -50.28 129.62 24.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.523 0.678 . . . . 72.24 111.165 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.82 140.86 63.2 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.635 -1.819 . . . . 72.32 112.376 -0.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 120.23 7.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 74.22 112.311 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.3 mm -100.65 111.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 72.13 111.114 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.1 m -99.48 130.35 45.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.54 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.8 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.86 0.362 . . . . 73.11 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.0 28.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.156 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.03 139.86 46.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 65.44 111.126 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -50.4 154.47 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.886 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.492 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 25.5 mm -49.1 132.27 15.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 73.51 111.081 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.74 153.52 92.94 Favored 'Cis proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.775 -1.761 . . . . 72.01 112.374 -0.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 125.69 12.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.273 . . . . 73.35 112.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.8 mt -111.25 111.85 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.134 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.0 m -96.9 128.34 43.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.882 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.4 p80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 72.5 110.858 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.996 0.426 . . . . 72.14 110.795 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -120.99 7.59 10.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 74.45 111.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 48.39 65.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 70.43 111.092 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 t -115.94 -176.51 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 52.44 110.904 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 41.0 mm -138.52 102.54 7.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.672 0.749 . . . . 74.34 111.156 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.86 148.64 87.36 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.684 -1.798 . . . . 75.12 112.276 -0.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 152.69 69.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.694 2.263 . . . . 73.34 112.353 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.23 149.18 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 63.42 111.191 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.07 128.97 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.884 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.898 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.853 0.359 . . . . 60.14 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -153.16 30.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 63.22 111.133 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.83 160.04 40.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 54.32 111.174 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -56.21 -178.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.885 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.506 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 12.0 mm -86.13 131.61 46.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.753 . . . . 73.22 111.09 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.67 138.45 48.91 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 -1.788 . . . . 71.23 112.37 -0.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 133.64 26.17 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 74.13 112.365 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.84 121.66 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.152 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.9 m -96.25 130.43 43.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.793 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.856 179.869 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.867 0.365 . . . . 74.13 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 t -75.25 -171.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 62.24 111.13 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.97 -5.27 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.042 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 p -116.06 167.9 10.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.367 -0.379 . . . . 75.41 110.856 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.544 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.1 mp -98.08 144.98 29.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.717 . . . . 73.25 111.184 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.1 Cg_endo -69.81 169.42 63.68 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 -1.805 . . . . 75.33 112.315 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 143.5 51.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.689 2.26 . . . . 75.13 112.39 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 mt -136.26 137.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 74.02 111.131 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.8 m -141.29 109.27 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 54.04 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.855 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.83 0.348 . . . . 73.3 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -154.34 28.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 65.4 111.152 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.15 140.7 23.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.109 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.62 163.5 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 75.43 110.858 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.3 tp -50.57 128.84 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.708 . . . . 72.32 111.193 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.85 138.68 50.61 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 -1.801 . . . . 73.21 112.391 0.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.88 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.733 2.289 . . . . 74.4 112.309 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mm -98.16 111.84 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 73.2 111.089 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.3 m -98.65 132.78 43.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.936 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 74.53 110.808 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.916 0.389 . . . . 74.42 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -163.84 175.78 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.42 111.125 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.13 157.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 70.44 111.11 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -85.97 177.27 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.906 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.509 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.4 tp -50.24 131.51 24.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.589 0.709 . . . . 73.44 111.198 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.68 144.68 77.15 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 -1.79 . . . . 70.23 112.367 -0.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 73.4 112.322 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.59 142.63 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.14 111.139 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.6 m -122.47 145.93 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.836 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.8 p80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 75.55 110.912 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.869 0.366 . . . . 64.31 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -144.96 30.52 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 61.2 111.094 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.52 152.69 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 51.4 111.099 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 p -64.43 -179.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.863 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.515 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 10.8 mm -68.25 132.59 91.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 74.31 111.165 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.0 Cg_endo -69.75 137.93 46.38 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.632 -1.82 . . . . 73.3 112.37 -0.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 127.94 15.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 75.22 112.422 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.67 111.92 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 74.34 111.08 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.68 123.0 40.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 60.43 110.861 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.867 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.94 0.4 . . . . 72.41 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 t -81.5 -174.75 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 65.22 111.189 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.13 -5.12 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.055 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 p -96.14 179.44 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.845 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.512 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 49.5 mm -120.3 134.33 24.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 64.25 111.202 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 161.5 86.09 Favored 'Cis proline' 0 C--N 1.343 0.245 0 C-N-CA 122.621 -1.824 . . . . 72.23 112.308 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 165.62 30.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 2.252 . . . . 65.31 112.362 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -140.7 141.17 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 74.34 111.16 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -144.38 109.15 4.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 71.21 110.944 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 72.25 110.875 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.995 0.426 . . . . 53.23 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -165.65 30.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.102 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.95 139.53 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 45.42 111.146 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -50.39 155.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.863 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 33.7 mm -50.14 130.65 23.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 73.22 111.125 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.8 Cg_endo -69.8 145.85 80.65 Favored 'Cis proline' 0 C--N 1.343 0.244 0 C-N-CA 122.661 -1.808 . . . . 73.41 112.326 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 121.08 7.76 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.706 2.271 . . . . 73.5 112.334 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 mm -102.56 111.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.1 111.129 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.7 m -94.72 113.85 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 51.23 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.804 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.88 0.371 . . . . 75.45 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 t -75.25 -163.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.51 111.12 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.36 -29.57 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.102 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -51.1 156.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.946 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.505 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 48.2 mm -107.33 132.75 20.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.66 0.743 . . . . 70.44 111.12 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.7 162.13 84.58 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.712 -1.787 . . . . 74.01 112.344 -0.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 110.52 2.58 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.692 2.261 . . . . 72.53 112.342 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.3 139.71 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.31 111.121 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.4 m -141.4 122.84 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 61.51 110.99 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.457 . . . . 64.23 110.836 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 74.15 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -153.69 25.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.51 111.119 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -157.81 151.32 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 75.24 111.103 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 t -66.92 172.73 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 64.42 110.779 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 21.1 mm -52.11 131.03 41.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 75.44 111.2 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.8 141.51 66.22 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 -1.807 . . . . 64.31 112.345 -0.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 112.56 3.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 72.33 112.281 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.7 tt -100.81 110.87 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.112 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.7 m -108.05 146.96 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.896 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.31 110.827 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.966 0.412 . . . . 62.43 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -169.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 65.12 111.162 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.08 37.84 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 64.3 111.083 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -115.77 169.18 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 74.04 110.82 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.444 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -115.9 124.86 29.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 73.35 111.145 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.0 Cg_endo -69.85 169.42 63.79 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.634 -1.819 . . . . 70.03 112.326 0.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 135.11 29.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.28 . . . . 71.43 112.363 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.12 139.42 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 55.54 111.162 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -128.53 128.19 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.874 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 72.51 110.874 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 72.34 110.87 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -158.07 30.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 75.14 111.173 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.98 154.07 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 63.03 111.118 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -75.81 170.64 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.824 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.495 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.2 tp -51.83 129.27 37.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 75.42 111.231 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.73 134.81 30.85 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.602 -1.833 . . . . 54.42 112.375 -0.066 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 126.49 13.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.726 2.284 . . . . 74.24 112.33 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.92 128.32 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.41 111.116 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -116.08 144.34 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.24 110.816 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.507 . . . . 75.24 110.938 179.903 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.939 0.399 . . . . 73.41 110.765 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 3' ' ' ALA . 3.5 m -110.75 152.4 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 74.43 111.143 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 2' ' ' THR . . . -88.54 -37.58 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 63.13 111.085 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -47.77 160.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 62.25 110.838 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.487 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 2.7 tp -113.3 130.4 23.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 72.35 111.139 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.8 170.3 59.34 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.663 -1.807 . . . . 43.32 112.392 -0.086 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 110.79 2.63 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 74.42 112.295 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.32 112.49 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 73.43 111.136 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.8 m -112.14 137.79 49.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.908 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 71.52 110.848 179.977 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.39 . . . . 63.23 110.923 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 t -107.27 12.43 28.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 75.1 111.129 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 51.18 57.77 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 62.33 111.102 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.3 t -109.41 175.36 5.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.5 . . . . 63.41 110.864 -179.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.557 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -126.05 107.87 24.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.683 0.754 . . . . 75.31 111.129 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 168.18 68.18 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.703 -1.79 . . . . 75.45 112.35 -0.147 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 132.83 24.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 73.01 112.399 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 pt -121.55 142.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.127 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.6 m -124.62 130.49 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 71.11 110.933 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.884 179.978 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.979 0.418 . . . . 75.45 110.877 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 t -159.21 23.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 64.21 111.113 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.49 141.83 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 74.0 111.104 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 m -64.63 164.61 11.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.923 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.489 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -50.54 127.56 24.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 75.03 111.142 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 136.18 37.54 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 -1.817 . . . . 74.22 112.385 -0.138 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 125.06 11.68 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.275 . . . . 73.4 112.343 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.449 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -110.89 127.48 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 64.41 111.096 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.8 m -108.05 151.18 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 52.24 110.872 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.979 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.37 . . . . 70.44 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.3 p -101.49 -175.47 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.204 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.84 19.18 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 75.43 111.063 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.2 t -55.95 161.26 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 70.34 110.883 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.2 tp -128.11 103.89 20.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 73.11 111.101 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 168.07 69.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 -1.799 . . . . 72.21 112.277 -0.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 150.66 68.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 74.45 112.268 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -118.14 152.79 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 71.31 111.107 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -140.29 109.14 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.963 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -105.25 32.21 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.833 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 73.12 110.849 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.059 0.457 . . . . 61.12 110.823 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 t -88.65 -171.14 3.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 75.45 111.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.17 -20.78 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 74.45 111.063 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -57.1 179.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.11 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.487 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 2.6 tp -135.67 130.27 18.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 75.2 111.127 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.8 Cg_endo -69.71 160.78 87.3 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.757 -1.768 . . . . 75.54 112.275 -0.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 160.96 47.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.659 2.239 . . . . 61.23 112.378 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.2 pt -138.91 153.01 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 71.01 111.088 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -135.29 109.47 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 61.31 110.842 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -102.27 27.63 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.863 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.927 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.2 m . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.97 0.414 . . . . 74.31 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -96.82 16.27 19.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.128 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.65 62.9 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 71.54 111.103 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -115.93 -178.61 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.1 110.832 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.2 mm -139.32 102.8 7.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.69 . . . . 70.44 111.196 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 148.25 86.56 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 -1.795 . . . . 72.11 112.218 0.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 137.84 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 72.23 112.299 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.19 134.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 71.33 111.127 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -111.97 125.94 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.935 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -109.46 29.07 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 72.13 110.919 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.838 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.915 0.388 . . . . 70.43 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -149.91 28.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.4 111.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.73 139.82 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 43.53 111.125 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -59.01 164.88 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.902 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.2 tp -51.02 129.24 29.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 75.13 111.197 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.7 Cg_endo -69.73 137.62 44.71 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 -1.813 . . . . 74.43 112.343 -0.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 120.22 7.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.608 2.205 . . . . 74.41 112.362 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.0 mt -103.49 112.82 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.21 111.119 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m -100.29 132.19 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 70.22 110.802 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -109.35 29.0 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.881 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.416 ' C ' ' HA ' ' A' ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . 0.416 ' HA ' ' C ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.864 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.3 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.97 0.414 . . . . 74.52 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p -108.63 -163.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 75.44 111.043 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.9 64.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.103 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 168.42 10.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.839 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.31 105.52 21.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 62.32 111.086 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 168.32 68.11 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.676 -1.802 . . . . 72.42 112.294 -0.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 141.8 45.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.232 . . . . 71.43 112.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 134.61 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 62.13 111.107 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -106.03 155.76 19.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.807 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -129.68 26.94 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.86 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.863 -179.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.958 0.408 . . . . 75.43 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -152.72 28.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 70.04 111.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.74 137.07 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.2 111.091 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -51.48 159.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 65.24 110.897 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 35.8 mm -50.62 131.76 27.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.705 0.764 . . . . 75.52 111.095 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.81 146.5 82.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.706 -1.789 . . . . 44.05 112.348 -0.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 124.61 11.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 73.41 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.09 111.78 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 75.31 111.155 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.4 121.87 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.829 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.27 26.6 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 75.25 110.857 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 75.45 110.85 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.7 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.904 0.383 . . . . 63.12 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.3 p -109.0 -167.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 74.41 111.162 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.34 68.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 70.44 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -115.79 166.76 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 41.13 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 tp -127.56 104.36 21.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 75.4 111.178 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.33 63.7 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 -1.797 . . . . 60.2 112.357 -0.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.44 50.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.246 . . . . 74.41 112.336 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 135.34 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 73.21 111.169 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -109.28 151.64 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 70.01 110.842 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -125.34 26.92 6.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.97 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 72.24 110.818 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.825 0.345 . . . . 65.1 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -155.72 28.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.219 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.42 139.85 27.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 74.03 111.044 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 m -55.74 160.52 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 72.22 110.828 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.3 tp -50.28 129.62 24.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.523 0.678 . . . . 72.24 111.165 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.82 140.86 63.2 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.635 -1.819 . . . . 72.32 112.376 -0.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 120.23 7.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 74.22 112.311 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.3 mm -100.65 111.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 72.13 111.114 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.1 m -99.48 130.35 45.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.54 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -107.41 28.86 7.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.8 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.418 ' C ' ' HA ' ' A' ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . 0.418 ' HA ' ' C ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.82 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.86 0.362 . . . . 73.11 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.0 28.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.156 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.03 139.86 46.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 65.44 111.126 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -50.4 154.47 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.886 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.492 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 25.5 mm -49.1 132.27 15.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 73.51 111.081 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.74 153.52 92.94 Favored 'Cis proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.775 -1.761 . . . . 72.01 112.374 -0.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 125.69 12.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.273 . . . . 73.35 112.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.8 mt -111.25 111.85 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.134 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.0 m -96.9 128.34 43.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.882 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -105.18 29.03 6.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 72.5 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.421 ' C ' ' HA ' ' A' ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . 0.421 ' HA ' ' C ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.351 -0.386 . . . . 75.32 110.88 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.996 0.426 . . . . 72.14 110.795 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -120.99 7.59 10.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 74.45 111.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 48.39 65.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 70.43 111.092 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 t -115.94 -176.51 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 52.44 110.904 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 6' ' ' PRO . 41.0 mm -138.52 102.54 7.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.672 0.749 . . . . 74.34 111.156 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.86 148.64 87.36 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.684 -1.798 . . . . 75.12 112.276 -0.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 152.69 69.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.694 2.263 . . . . 73.34 112.353 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.23 149.18 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 63.42 111.191 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.07 128.97 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.884 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -121.76 30.69 6.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.898 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.454 ' HB2' ' HC3' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.454 ' HC3' ' HB2' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 70.13 110.925 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.853 0.359 . . . . 60.14 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -153.16 30.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 63.22 111.133 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.83 160.04 40.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 54.32 111.174 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -56.21 -178.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.885 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.506 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 12.0 mm -86.13 131.61 46.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.753 . . . . 73.22 111.09 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.67 138.45 48.91 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 -1.788 . . . . 71.23 112.37 -0.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 133.64 26.17 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 74.13 112.365 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.84 121.66 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.152 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.9 m -96.25 130.43 43.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.793 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -106.7 33.68 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.856 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.419 ' HB2' ' HC3' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.419 ' HC3' ' HB2' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . 0.401 ' HA ' ' C ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 64.24 110.822 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.867 0.365 . . . . 74.13 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 t -75.25 -171.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 62.24 111.13 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.97 -5.27 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.042 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 p -116.06 167.9 10.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.367 -0.379 . . . . 75.41 110.856 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.544 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.1 mp -98.08 144.98 29.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.717 . . . . 73.25 111.184 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.1 Cg_endo -69.81 169.42 63.68 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 -1.805 . . . . 75.33 112.315 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 143.5 51.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.689 2.26 . . . . 75.13 112.39 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 mt -136.26 137.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 74.02 111.131 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.8 m -141.29 109.27 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 54.04 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -99.23 28.44 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.855 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.879 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.83 0.348 . . . . 73.3 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -154.34 28.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 65.4 111.152 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.15 140.7 23.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.109 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.62 163.5 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 75.43 110.858 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.3 tp -50.57 128.84 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.708 . . . . 72.32 111.193 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.85 138.68 50.61 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 -1.801 . . . . 73.21 112.391 0.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.88 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.733 2.289 . . . . 74.4 112.309 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mm -98.16 111.84 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 73.2 111.089 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.3 m -98.65 132.78 43.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.936 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -115.38 35.19 4.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 74.53 110.808 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.416 ' C ' ' HA ' ' A' ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.411 ' HC1' ' HB2' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . 0.416 ' HA ' ' C ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.77 -179.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.916 0.389 . . . . 74.42 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -163.84 175.78 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.42 111.125 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.13 157.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 70.44 111.11 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -85.97 177.27 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.906 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.509 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.4 tp -50.24 131.51 24.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.589 0.709 . . . . 73.44 111.198 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.68 144.68 77.15 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 -1.79 . . . . 70.23 112.367 -0.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 73.4 112.322 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.59 142.63 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.14 111.139 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.6 m -122.47 145.93 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.836 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -124.94 33.87 5.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 75.55 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.445 ' HB2' ' HC3' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.445 ' HC3' ' HB2' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 75.14 110.853 -179.887 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.869 0.366 . . . . 64.31 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -144.96 30.52 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 61.2 111.094 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.52 152.69 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 51.4 111.099 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 p -64.43 -179.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.863 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.515 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 10.8 mm -68.25 132.59 91.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 74.31 111.165 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.0 Cg_endo -69.75 137.93 46.38 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.632 -1.82 . . . . 73.3 112.37 -0.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 127.94 15.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 75.22 112.422 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.67 111.92 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 74.34 111.08 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.68 123.0 40.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 60.43 110.861 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -96.96 27.63 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.867 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.436 ' C ' ' HA ' ' A' ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . 0.436 ' HA ' ' C ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.879 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.94 0.4 . . . . 72.41 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 t -81.5 -174.75 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 65.22 111.189 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.13 -5.12 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.055 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 p -96.14 179.44 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.845 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.512 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 49.5 mm -120.3 134.33 24.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 64.25 111.202 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 161.5 86.09 Favored 'Cis proline' 0 C--N 1.343 0.245 0 C-N-CA 122.621 -1.824 . . . . 72.23 112.308 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 165.62 30.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 2.252 . . . . 65.31 112.362 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -140.7 141.17 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 74.34 111.16 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -144.38 109.15 4.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 71.21 110.944 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -111.6 31.92 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 72.25 110.875 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.429 ' HB2' ' HC3' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.429 ' HC3' ' HB2' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 75.33 110.861 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.995 0.426 . . . . 53.23 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -165.65 30.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.102 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.95 139.53 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 45.42 111.146 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -50.39 155.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.863 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 33.7 mm -50.14 130.65 23.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 73.22 111.125 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.8 Cg_endo -69.8 145.85 80.65 Favored 'Cis proline' 0 C--N 1.343 0.244 0 C-N-CA 122.661 -1.808 . . . . 73.41 112.326 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 121.08 7.76 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.706 2.271 . . . . 73.5 112.334 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 mm -102.56 111.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.1 111.129 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.7 m -94.72 113.85 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 51.23 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -95.23 36.66 1.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.804 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.455 ' HB2' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.455 ' HC1' ' HB2' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.872 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.88 0.371 . . . . 75.45 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 t -75.25 -163.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.51 111.12 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.36 -29.57 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.102 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -51.1 156.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.946 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.505 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 48.2 mm -107.33 132.75 20.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.66 0.743 . . . . 70.44 111.12 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.7 162.13 84.58 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.712 -1.787 . . . . 74.01 112.344 -0.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 110.52 2.58 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.692 2.261 . . . . 72.53 112.342 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.3 139.71 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.31 111.121 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.4 m -141.4 122.84 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 61.51 110.99 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -121.44 32.08 6.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.457 . . . . 64.23 110.836 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.448 ' HB2' ' HC2' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.448 ' HC2' ' HB2' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 71.02 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 74.15 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -153.69 25.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.51 111.119 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -157.81 151.32 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 75.24 111.103 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 t -66.92 172.73 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 64.42 110.779 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 21.1 mm -52.11 131.03 41.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 75.44 111.2 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.8 141.51 66.22 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 -1.807 . . . . 64.31 112.345 -0.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 112.56 3.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 72.33 112.281 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.7 tt -100.81 110.87 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.112 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.7 m -108.05 146.96 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.896 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -120.62 33.73 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.31 110.827 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.434 ' HB2' ' HC3' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.434 ' HC3' ' HB2' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 73.41 110.854 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.966 0.412 . . . . 62.43 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -169.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 65.12 111.162 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.08 37.84 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 64.3 111.083 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -115.77 169.18 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 74.04 110.82 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.444 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -115.9 124.86 29.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 73.35 111.145 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.0 Cg_endo -69.85 169.42 63.79 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.634 -1.819 . . . . 70.03 112.326 0.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 135.11 29.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.28 . . . . 71.43 112.363 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.12 139.42 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 55.54 111.162 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -128.53 128.19 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.874 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -120.48 27.38 8.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 72.51 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.818 -179.903 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 72.34 110.87 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -158.07 30.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 75.14 111.173 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.98 154.07 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 63.03 111.118 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -75.81 170.64 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.824 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.495 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.2 tp -51.83 129.27 37.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 75.42 111.231 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.73 134.81 30.85 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.602 -1.833 . . . . 54.42 112.375 -0.066 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 126.49 13.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.726 2.284 . . . . 74.24 112.33 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.92 128.32 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.41 111.116 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -116.08 144.34 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.24 110.816 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -116.9 34.41 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.507 . . . . 75.24 110.938 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.428 ' C ' ' HA ' ' A' ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.408 ' HC2' ' HB2' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . 0.428 ' HA ' ' C ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.865 179.952 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.939 0.399 . . . . 73.41 110.765 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 3' ' ' ALA . 3.5 m -110.75 152.4 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 74.43 111.143 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 2' ' ' THR . . . -88.54 -37.58 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 63.13 111.085 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -47.77 160.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 62.25 110.838 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.487 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 2.7 tp -113.3 130.4 23.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 72.35 111.139 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.8 170.3 59.34 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.663 -1.807 . . . . 43.32 112.392 -0.086 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 110.79 2.63 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 74.42 112.295 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.32 112.49 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 73.43 111.136 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.8 m -112.14 137.79 49.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.908 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -132.51 31.37 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 71.52 110.848 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.454 ' HB2' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.454 ' HC1' ' HB2' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.943 -179.969 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.39 . . . . 63.23 110.923 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 t -107.27 12.43 28.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 75.1 111.129 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 51.18 57.77 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 62.33 111.102 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.3 t -109.41 175.36 5.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.5 . . . . 63.41 110.864 -179.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.557 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -126.05 107.87 24.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.683 0.754 . . . . 75.31 111.129 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 168.18 68.18 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.703 -1.79 . . . . 75.45 112.35 -0.147 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 132.83 24.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 73.01 112.399 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 pt -121.55 142.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.127 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.6 m -124.62 130.49 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 71.11 110.933 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -113.79 28.76 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.884 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 74.21 110.934 -179.962 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.979 0.418 . . . . 75.45 110.877 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 t -159.21 23.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 64.21 111.113 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.49 141.83 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 74.0 111.104 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 m -64.63 164.61 11.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.923 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.489 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -50.54 127.56 24.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 75.03 111.142 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 136.18 37.54 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 -1.817 . . . . 74.22 112.385 -0.138 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 125.06 11.68 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.275 . . . . 73.4 112.343 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.449 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -110.89 127.48 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 64.41 111.096 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.8 m -108.05 151.18 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 52.24 110.872 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -127.87 35.09 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.979 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' DPN . . . . . 0.443 ' HB2' ' HC2' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.443 ' HC2' ' HB2' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 74.22 110.872 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.37 . . . . 70.44 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.3 p -101.49 -175.47 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.14 111.204 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.84 19.18 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 63.53 111.063 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.44 ' HB3' HG23 ' A' ' 8' ' ' ILE . 6.2 t -55.95 161.26 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 70.34 110.883 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 6' ' ' PRO . 4.2 tp -128.11 103.89 20.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 71.3 111.101 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.86 168.07 69.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 -1.799 . . . . 72.21 112.277 -0.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 150.66 68.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 74.45 112.268 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.44 HG23 ' HB3' ' A' ' 4' ' ' SER . 0.6 OUTLIER -118.14 152.79 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 65.45 111.107 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -140.29 109.14 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.963 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.01 110.833 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.059 0.457 . . . . 61.12 110.823 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 t -88.65 -171.14 3.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 75.45 111.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.17 -20.78 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 74.45 111.063 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -57.1 179.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.576 HD12 ' HD3' ' A' ' 7' ' ' PRO . 2.6 tp -135.67 130.27 18.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 64.22 111.127 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.8 Cg_endo -69.71 160.78 87.3 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.757 -1.768 . . . . 75.54 112.275 -0.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.77 160.96 47.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.659 2.239 . . . . 61.23 112.378 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.2 pt -138.91 153.01 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 64.11 111.088 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -135.29 109.47 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 61.31 110.842 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 p80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.863 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.2 m . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.97 0.414 . . . . 74.31 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.526 HG22 HG23 ' A' ' 8' ' ' ILE . 13.8 t -96.82 16.27 19.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.128 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.65 62.9 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 71.41 111.103 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.486 ' O ' HD13 ' A' ' 5' ' ' ILE . 12.8 t -115.93 -178.61 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.1 110.832 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 4' ' ' SER . 47.2 mm -139.32 102.8 7.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.69 . . . . 70.44 111.196 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.87 148.25 86.56 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 -1.795 . . . . 64.42 112.218 0.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 137.84 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 72.23 112.299 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -114.19 134.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 62.21 111.127 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -111.97 125.94 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.935 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 63.2 110.919 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.915 0.388 . . . . 70.43 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -149.91 28.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.4 111.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.73 139.82 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 43.53 111.125 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -59.01 164.88 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 42.23 110.902 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.82 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.2 tp -51.02 129.24 29.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 75.13 111.197 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.7 Cg_endo -69.73 137.62 44.71 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 -1.813 . . . . 63.4 112.343 -0.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.82 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.3 Cg_endo -69.77 120.22 7.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.608 2.205 . . . . 74.41 112.362 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.0 mt -103.49 112.82 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.21 111.119 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m -100.29 132.19 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 65.51 110.802 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.881 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.3 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.97 0.414 . . . . 70.24 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p -108.63 -163.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 74.13 111.043 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.9 64.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.103 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 168.42 10.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 43.02 110.839 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -127.31 105.52 21.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 55.32 111.086 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 168.32 68.11 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.676 -1.802 . . . . 72.42 112.294 -0.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 141.8 45.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.232 . . . . 71.43 112.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 134.61 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 50.34 111.107 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -106.03 155.76 19.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.807 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.86 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.958 0.408 . . . . 75.43 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -152.72 28.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 70.04 111.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.74 137.07 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.2 111.091 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -51.48 159.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 65.24 110.897 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.505 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 35.8 mm -50.62 131.76 27.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.705 0.764 . . . . 75.52 111.095 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.81 146.5 82.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.706 -1.789 . . . . 44.05 112.348 -0.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 124.61 11.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 73.41 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.09 111.78 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 72.34 111.155 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.4 121.87 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.829 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.857 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.7 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.904 0.383 . . . . 63.12 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.3 p -109.0 -167.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 51.23 111.162 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.34 68.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 70.44 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -115.79 166.76 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 41.13 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 6' ' ' PRO . 3.7 tp -127.56 104.36 21.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 75.4 111.178 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.556 ' HA ' HD12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.72 169.33 63.7 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 -1.797 . . . . 52.1 112.357 -0.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.44 50.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.246 . . . . 53.15 112.336 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 135.34 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 73.21 111.169 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -109.28 151.64 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 61.24 110.842 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.97 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.825 0.345 . . . . 65.1 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -155.72 28.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.219 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -145.42 139.85 27.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 m -55.74 160.52 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 72.22 110.828 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.825 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.3 tp -50.28 129.62 24.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.523 0.678 . . . . 72.12 111.165 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.82 140.86 63.2 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.635 -1.819 . . . . 72.32 112.376 -0.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.825 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.3 Cg_endo -69.74 120.23 7.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 74.22 112.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.3 mm -100.65 111.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 61.43 111.114 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.1 m -99.48 130.35 45.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.03 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.8 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.86 0.362 . . . . 64.14 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.0 28.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.156 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.434 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . . . -134.03 139.86 46.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 64.01 111.126 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -50.4 154.47 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.886 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 25.5 mm -49.1 132.27 15.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 64.31 111.081 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.74 153.52 92.94 Favored 'Cis proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.775 -1.761 . . . . 72.01 112.374 -0.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 125.69 12.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.273 . . . . 71.12 112.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 60.8 mt -111.25 111.85 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 64.23 111.134 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.0 m -96.9 128.34 43.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 62.2 110.882 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.4 p80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 72.5 110.858 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.996 0.426 . . . . 72.14 110.795 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.698 HG22 HG13 ' A' ' 8' ' ' ILE . 14.8 t -120.99 7.59 10.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 65.12 111.119 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 48.39 65.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 64.42 111.092 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 t -115.94 -176.51 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 52.44 110.904 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.0 mm -138.52 102.54 7.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.672 0.749 . . . . 74.34 111.156 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 148.64 87.36 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.684 -1.798 . . . . 75.12 112.276 -0.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 152.69 69.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.694 2.263 . . . . 71.35 112.353 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.698 HG13 HG22 ' A' ' 2' ' ' THR . 1.2 pp -132.23 149.18 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 62.24 111.191 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.07 128.97 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.884 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.898 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.853 0.359 . . . . 60.14 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -153.16 30.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.14 111.133 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.83 160.04 40.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 54.32 111.174 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -56.21 -178.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.885 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.514 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 12.0 mm -86.13 131.61 46.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.753 . . . . 70.24 111.09 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.67 138.45 48.91 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 -1.788 . . . . 64.23 112.37 -0.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' HG23 ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.7 133.64 26.17 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 74.13 112.365 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.84 121.66 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 63.34 111.152 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.9 m -96.25 130.43 43.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.793 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.6 p80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 65.24 110.856 179.869 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.867 0.365 . . . . 74.13 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.632 HG22 ' H ' ' A' ' 8' ' ' ILE . 5.8 t -75.25 -171.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 51.44 111.13 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.97 -5.27 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.042 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 p -116.06 167.9 10.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.367 -0.379 . . . . 74.42 110.856 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.547 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.1 mp -98.08 144.98 29.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.717 . . . . 73.2 111.184 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.1 Cg_endo -69.81 169.42 63.68 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 -1.805 . . . . 75.33 112.315 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 143.5 51.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.689 2.26 . . . . 75.13 112.39 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.632 ' H ' HG22 ' A' ' 2' ' ' THR . 2.5 mt -136.26 137.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 74.02 111.131 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.8 m -141.29 109.27 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 54.04 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.855 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.83 0.348 . . . . 73.3 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -154.34 28.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 44.42 111.152 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -149.15 140.7 23.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.109 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.62 163.5 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 54.25 110.858 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.813 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.3 tp -50.57 128.84 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.708 . . . . 72.32 111.193 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.85 138.68 50.61 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 -1.801 . . . . 73.21 112.391 0.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.813 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.73 118.88 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.733 2.289 . . . . 73.34 112.309 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.6 mm -98.16 111.84 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 73.2 111.089 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.3 m -98.65 132.78 43.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.936 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 74.53 110.808 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.916 0.389 . . . . 74.42 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -163.84 175.78 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.42 111.125 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.715 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . 64.13 157.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 43.34 111.11 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -85.97 177.27 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.906 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.871 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.4 tp -50.24 131.51 24.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.589 0.709 . . . . 73.44 111.198 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.68 144.68 77.15 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 -1.79 . . . . 70.23 112.367 -0.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.871 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.66 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 73.4 112.322 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.715 HG22 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -109.59 142.63 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.3 111.139 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.6 m -122.47 145.93 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.836 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.8 p80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 63.54 110.912 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.869 0.366 . . . . 63.22 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -144.96 30.52 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 61.2 111.094 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.582 ' HB3' ' CG1' ' A' ' 8' ' ' ILE . . . -153.52 152.69 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 42.33 111.099 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 p -64.43 -179.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 71.12 110.863 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.517 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 10.8 mm -68.25 132.59 91.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 51.33 111.165 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.0 Cg_endo -69.75 137.93 46.38 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.632 -1.82 . . . . 73.3 112.37 -0.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.76 127.94 15.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 72.13 112.422 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.582 ' CG1' ' HB3' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -114.67 111.92 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 61.44 111.08 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.68 123.0 40.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 60.43 110.861 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.867 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.94 0.4 . . . . 63.21 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.709 HG22 ' H ' ' A' ' 8' ' ' ILE . 2.3 t -81.5 -174.75 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 63.52 111.189 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.13 -5.12 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 74.24 111.055 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 p -96.14 179.44 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.845 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.523 HG23 ' HA ' ' A' ' 6' ' ' PRO . 49.5 mm -120.3 134.33 24.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 62.24 111.202 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.523 ' HA ' HG23 ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 161.5 86.09 Favored 'Cis proline' 0 C--N 1.343 0.245 0 C-N-CA 122.621 -1.824 . . . . 72.23 112.308 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 165.62 30.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 2.252 . . . . 65.31 112.362 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.709 ' H ' HG22 ' A' ' 2' ' ' THR . 0.3 OUTLIER -140.7 141.17 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 72.53 111.16 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -144.38 109.15 4.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 43.31 110.944 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 72.25 110.875 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.995 0.426 . . . . 43.02 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -165.65 30.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.102 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -137.95 139.53 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 45.42 111.146 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -50.39 155.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.863 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 33.7 mm -50.14 130.65 23.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 73.22 111.125 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.8 Cg_endo -69.8 145.85 80.65 Favored 'Cis proline' 0 C--N 1.343 0.244 0 C-N-CA 122.661 -1.808 . . . . 73.41 112.326 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 121.08 7.76 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.706 2.271 . . . . 73.5 112.334 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.58 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.7 mm -102.56 111.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.1 111.129 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.7 m -94.72 113.85 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 41.13 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.804 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.88 0.371 . . . . 75.45 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.435 HG22 ' HB ' ' A' ' 8' ' ' ILE . 6.0 t -75.25 -163.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.12 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.416 ' N ' HG23 ' A' ' 2' ' ' THR . . . -119.36 -29.57 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.102 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -51.1 156.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.946 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 48.2 mm -107.33 132.75 20.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.66 0.743 . . . . 70.24 111.12 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.7 162.13 84.58 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.712 -1.787 . . . . 74.01 112.344 -0.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 110.52 2.58 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.692 2.261 . . . . 72.53 112.342 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.435 ' HB ' HG22 ' A' ' 2' ' ' THR . 0.2 OUTLIER -77.3 139.71 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 63.42 111.121 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.4 m -141.4 122.84 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 61.51 110.99 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.6 p80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.457 . . . . 64.23 110.836 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 62.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 74.15 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -153.69 25.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.51 111.119 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.894 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -157.81 151.32 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.13 111.103 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 t -66.92 172.73 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 64.42 110.779 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.506 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 21.1 mm -52.11 131.03 41.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 55.1 111.2 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.8 141.51 66.22 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 -1.807 . . . . 64.31 112.345 -0.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.72 112.56 3.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 72.33 112.281 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.894 HG22 ' HB3' ' A' ' 3' ' ' ALA . 5.7 tt -100.81 110.87 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.112 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.7 m -108.05 146.96 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.896 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 63.3 110.827 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.966 0.412 . . . . 62.43 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -169.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 65.12 111.162 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.08 37.84 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 64.3 111.083 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -115.77 169.18 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.82 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -115.9 124.86 29.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 73.35 111.145 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.0 Cg_endo -69.85 169.42 63.79 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.634 -1.819 . . . . 70.03 112.326 0.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 135.11 29.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.28 . . . . 64.43 112.363 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.12 139.42 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 55.32 111.162 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -128.53 128.19 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.874 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 72.51 110.874 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 62.12 110.87 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -158.07 30.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 75.14 111.173 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.806 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -156.98 154.07 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 62.33 111.118 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -75.81 170.64 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.824 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.796 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.2 tp -51.83 129.27 37.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 75.42 111.231 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.73 134.81 30.85 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.602 -1.833 . . . . 54.42 112.375 -0.066 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.796 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.74 126.49 13.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.726 2.284 . . . . 65.12 112.33 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.806 HG22 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -117.92 128.32 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.41 111.116 179.914 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -116.08 144.34 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.24 110.816 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.507 . . . . 75.24 110.938 179.903 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.939 0.399 . . . . 73.41 110.765 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 3' ' ' ALA . 3.5 m -110.75 152.4 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 74.43 111.143 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 2' ' ' THR . . . -88.54 -37.58 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 44.5 111.085 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -47.77 160.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 54.32 110.838 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.495 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 2.7 tp -113.3 130.4 23.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 72.35 111.139 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.8 170.3 59.34 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.663 -1.807 . . . . 43.32 112.392 -0.086 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 110.79 2.63 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 74.42 112.295 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -85.32 112.49 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.44 111.136 179.852 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.8 m -112.14 137.79 49.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.908 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 p80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 63.32 110.848 179.977 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.39 . . . . 53.24 110.923 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.674 HG22 HG12 ' A' ' 8' ' ' ILE . 5.8 t -107.27 12.43 28.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 71.11 111.129 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 51.18 57.77 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 60.51 111.102 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 2' ' ' THR . 24.3 t -109.41 175.36 5.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.5 . . . . 63.41 110.864 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -126.05 107.87 24.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.683 0.754 . . . . 72.11 111.129 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.576 ' N ' HD13 ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.7 168.18 68.18 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.703 -1.79 . . . . 73.23 112.35 -0.147 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 132.83 24.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 73.01 112.399 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.674 HG12 HG22 ' A' ' 2' ' ' THR . 4.6 pt -121.55 142.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.127 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.6 m -124.62 130.49 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 71.11 110.933 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.884 179.978 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.979 0.418 . . . . 75.45 110.877 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 t -159.21 23.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 64.21 111.113 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.586 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -138.49 141.83 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 71.1 111.104 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 m -64.63 164.61 11.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.923 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -50.54 127.56 24.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 73.43 111.142 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 136.18 37.54 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 -1.817 . . . . 70.33 112.385 -0.138 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' HG12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.8 125.06 11.68 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.275 . . . . 73.13 112.343 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.699 HD13 ' N ' ' A' ' 9' ' ' CYS . 0.3 OUTLIER -110.89 127.48 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 64.41 111.096 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.699 ' N ' HD13 ' A' ' 8' ' ' ILE . 32.8 m -108.05 151.18 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 52.24 110.872 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.979 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.37 . . . . 70.44 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.3 p -101.49 -175.47 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.14 111.204 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.84 19.18 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 63.53 111.063 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.44 ' HB3' HG23 ' A' ' 8' ' ' ILE . 6.2 t -55.95 161.26 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 70.34 110.883 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 6' ' ' PRO . 4.2 tp -128.11 103.89 20.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 71.3 111.101 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.86 168.07 69.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 -1.799 . . . . 72.21 112.277 -0.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 150.66 68.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 74.45 112.268 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.44 HG23 ' HB3' ' A' ' 4' ' ' SER . 0.6 OUTLIER -118.14 152.79 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 65.45 111.107 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -140.29 109.14 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.963 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -105.25 32.21 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.01 110.833 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.455 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.455 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 42.12 110.849 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.059 0.457 . . . . 61.12 110.823 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 t -88.65 -171.14 3.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 75.45 111.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.17 -20.78 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 74.45 111.063 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -57.1 179.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.576 HD12 ' HD3' ' A' ' 7' ' ' PRO . 2.6 tp -135.67 130.27 18.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 64.22 111.127 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.8 Cg_endo -69.71 160.78 87.3 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.757 -1.768 . . . . 75.54 112.275 -0.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.77 160.96 47.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.659 2.239 . . . . 61.23 112.378 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.2 pt -138.91 153.01 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 64.11 111.088 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -135.29 109.47 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 61.31 110.842 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -102.27 27.63 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.863 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.498 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.498 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.927 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.2 m . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.97 0.414 . . . . 74.31 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.526 HG22 HG23 ' A' ' 8' ' ' ILE . 13.8 t -96.82 16.27 19.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.128 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.65 62.9 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 71.41 111.103 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.486 ' O ' HD13 ' A' ' 5' ' ' ILE . 12.8 t -115.93 -178.61 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.1 110.832 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 4' ' ' SER . 47.2 mm -139.32 102.8 7.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.69 . . . . 70.44 111.196 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.87 148.25 86.56 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 -1.795 . . . . 64.42 112.218 0.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 137.84 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 72.23 112.299 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -114.19 134.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 62.21 111.127 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -111.97 125.94 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.935 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -109.46 29.07 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 63.2 110.919 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.443 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.443 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.838 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.915 0.388 . . . . 70.43 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -149.91 28.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.4 111.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.73 139.82 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 43.53 111.125 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -59.01 164.88 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 42.23 110.902 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.82 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.2 tp -51.02 129.24 29.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 75.13 111.197 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.7 Cg_endo -69.73 137.62 44.71 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 -1.813 . . . . 63.4 112.343 -0.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.82 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.3 Cg_endo -69.77 120.22 7.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.608 2.205 . . . . 74.41 112.362 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.0 mt -103.49 112.82 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.21 111.119 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m -100.29 132.19 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 65.51 110.802 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -109.35 29.0 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.881 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.864 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.3 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.97 0.414 . . . . 70.24 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p -108.63 -163.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 74.13 111.043 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.9 64.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.103 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 168.42 10.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 43.02 110.839 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -127.31 105.52 21.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 55.32 111.086 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 168.32 68.11 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.676 -1.802 . . . . 72.42 112.294 -0.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 141.8 45.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.232 . . . . 71.43 112.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 134.61 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 50.34 111.107 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -106.03 155.76 19.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.807 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -129.68 26.94 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.86 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.503 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.503 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.863 -179.885 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.958 0.408 . . . . 75.43 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -152.72 28.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 70.04 111.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.74 137.07 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.2 111.091 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -51.48 159.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 65.24 110.897 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.505 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 35.8 mm -50.62 131.76 27.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.705 0.764 . . . . 75.52 111.095 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.81 146.5 82.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.706 -1.789 . . . . 44.05 112.348 -0.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 124.61 11.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 73.41 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.09 111.78 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 72.34 111.155 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.4 121.87 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.829 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.27 26.6 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.857 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.418 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.418 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 75.45 110.85 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.7 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.904 0.383 . . . . 63.12 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.3 p -109.0 -167.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 51.23 111.162 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.34 68.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 70.44 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -115.79 166.76 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 41.13 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 6' ' ' PRO . 3.7 tp -127.56 104.36 21.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 75.4 111.178 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.556 ' HA ' HD12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.72 169.33 63.7 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 -1.797 . . . . 52.1 112.357 -0.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.44 50.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.246 . . . . 53.15 112.336 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 135.34 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 73.21 111.169 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -109.28 151.64 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 61.24 110.842 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -125.34 26.92 6.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.97 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.493 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.493 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.818 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.825 0.345 . . . . 65.1 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -155.72 28.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.219 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -145.42 139.85 27.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 m -55.74 160.52 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 72.22 110.828 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.825 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.3 tp -50.28 129.62 24.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.523 0.678 . . . . 72.12 111.165 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.82 140.86 63.2 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.635 -1.819 . . . . 72.32 112.376 -0.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.825 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.3 Cg_endo -69.74 120.23 7.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 74.22 112.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.3 mm -100.65 111.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 61.43 111.114 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.1 m -99.48 130.35 45.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.03 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -107.41 28.86 7.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.8 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.82 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.86 0.362 . . . . 64.14 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.0 28.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.156 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.434 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . . . -134.03 139.86 46.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 64.01 111.126 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -50.4 154.47 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.886 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 25.5 mm -49.1 132.27 15.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 64.31 111.081 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.74 153.52 92.94 Favored 'Cis proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.775 -1.761 . . . . 72.01 112.374 -0.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 125.69 12.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.273 . . . . 71.12 112.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 60.8 mt -111.25 111.85 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 64.23 111.134 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.0 m -96.9 128.34 43.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 62.2 110.882 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -105.18 29.03 6.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 72.5 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.427 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.427 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.351 -0.386 . . . . 75.32 110.88 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.996 0.426 . . . . 72.14 110.795 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.698 HG22 HG13 ' A' ' 8' ' ' ILE . 14.8 t -120.99 7.59 10.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 65.12 111.119 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 48.39 65.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 64.42 111.092 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 t -115.94 -176.51 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 52.44 110.904 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.0 mm -138.52 102.54 7.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.672 0.749 . . . . 74.34 111.156 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 148.64 87.36 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.684 -1.798 . . . . 75.12 112.276 -0.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 152.69 69.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.694 2.263 . . . . 71.35 112.353 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.698 HG13 HG22 ' A' ' 2' ' ' THR . 1.2 pp -132.23 149.18 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 62.24 111.191 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.07 128.97 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.884 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -121.76 30.69 6.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.898 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.455 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.455 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 70.13 110.925 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.853 0.359 . . . . 60.14 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -153.16 30.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.14 111.133 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.83 160.04 40.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 54.32 111.174 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -56.21 -178.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.885 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 12.0 mm -86.13 131.61 46.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.753 . . . . 70.24 111.09 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.67 138.45 48.91 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 -1.788 . . . . 64.23 112.37 -0.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' HG23 ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.7 133.64 26.17 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 74.13 112.365 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.84 121.66 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 63.34 111.152 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.9 m -96.25 130.43 43.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.793 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -106.7 33.68 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 65.24 110.856 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.503 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.503 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 61.42 110.822 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.867 0.365 . . . . 74.13 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.632 HG22 ' H ' ' A' ' 8' ' ' ILE . 5.8 t -75.25 -171.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 51.44 111.13 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.97 -5.27 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.042 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 p -116.06 167.9 10.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.367 -0.379 . . . . 74.42 110.856 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.547 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.1 mp -98.08 144.98 29.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.717 . . . . 73.2 111.184 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.1 Cg_endo -69.81 169.42 63.68 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 -1.805 . . . . 75.33 112.315 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 143.5 51.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.689 2.26 . . . . 75.13 112.39 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.632 ' H ' HG22 ' A' ' 2' ' ' THR . 2.5 mt -136.26 137.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 74.02 111.131 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.8 m -141.29 109.27 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 54.04 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -99.23 28.44 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.855 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.421 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.421 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.879 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.83 0.348 . . . . 73.3 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -154.34 28.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 44.42 111.152 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -149.15 140.7 23.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.109 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.62 163.5 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 54.25 110.858 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.813 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.3 tp -50.57 128.84 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.708 . . . . 72.32 111.193 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.85 138.68 50.61 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 -1.801 . . . . 73.21 112.391 0.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.813 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.73 118.88 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.733 2.289 . . . . 73.34 112.309 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.6 mm -98.16 111.84 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 73.2 111.089 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.3 m -98.65 132.78 43.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.936 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -115.38 35.19 4.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 74.53 110.808 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.485 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.485 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.77 -179.881 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.916 0.389 . . . . 74.42 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -163.84 175.78 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.42 111.125 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.715 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . 64.13 157.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 43.34 111.11 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -85.97 177.27 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.906 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.871 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.4 tp -50.24 131.51 24.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.589 0.709 . . . . 73.44 111.198 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.68 144.68 77.15 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 -1.79 . . . . 70.23 112.367 -0.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.871 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.66 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 73.4 112.322 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.715 HG22 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -109.59 142.63 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.3 111.139 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.6 m -122.47 145.93 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.836 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -124.94 33.87 5.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 63.54 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.515 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.515 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 73.51 110.853 -179.887 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.869 0.366 . . . . 63.22 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -144.96 30.52 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 61.2 111.094 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.582 ' HB3' ' CG1' ' A' ' 8' ' ' ILE . . . -153.52 152.69 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 42.33 111.099 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 p -64.43 -179.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 71.12 110.863 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 10.8 mm -68.25 132.59 91.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 51.33 111.165 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.0 Cg_endo -69.75 137.93 46.38 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.632 -1.82 . . . . 73.3 112.37 -0.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.76 127.94 15.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 72.13 112.422 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.582 ' CG1' ' HB3' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -114.67 111.92 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 61.44 111.08 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.68 123.0 40.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 60.43 110.861 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -96.96 27.63 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.867 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.4 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.4 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.879 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.94 0.4 . . . . 63.21 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.709 HG22 ' H ' ' A' ' 8' ' ' ILE . 2.3 t -81.5 -174.75 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 63.52 111.189 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.13 -5.12 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 74.24 111.055 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 p -96.14 179.44 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.845 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.523 HG23 ' HA ' ' A' ' 6' ' ' PRO . 49.5 mm -120.3 134.33 24.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 62.24 111.202 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.523 ' HA ' HG23 ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 161.5 86.09 Favored 'Cis proline' 0 C--N 1.343 0.245 0 C-N-CA 122.621 -1.824 . . . . 72.23 112.308 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 165.62 30.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 2.252 . . . . 65.31 112.362 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.709 ' H ' HG22 ' A' ' 2' ' ' THR . 0.3 OUTLIER -140.7 141.17 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 72.53 111.16 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -144.38 109.15 4.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 43.31 110.944 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -111.6 31.92 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 72.25 110.875 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.459 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.459 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 75.33 110.861 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.995 0.426 . . . . 43.02 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -165.65 30.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.102 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -137.95 139.53 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 45.42 111.146 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -50.39 155.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.863 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 33.7 mm -50.14 130.65 23.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 73.22 111.125 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.8 Cg_endo -69.8 145.85 80.65 Favored 'Cis proline' 0 C--N 1.343 0.244 0 C-N-CA 122.661 -1.808 . . . . 73.41 112.326 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 121.08 7.76 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.706 2.271 . . . . 73.5 112.334 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.58 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.7 mm -102.56 111.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.1 111.129 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.7 m -94.72 113.85 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 41.13 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -95.23 36.66 1.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.804 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.495 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.495 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.872 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.88 0.371 . . . . 75.45 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.435 HG22 ' HB ' ' A' ' 8' ' ' ILE . 6.0 t -75.25 -163.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.12 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' N ' HG23 ' A' ' 2' ' ' THR . . . -119.36 -29.57 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.102 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -51.1 156.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.946 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 48.2 mm -107.33 132.75 20.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.66 0.743 . . . . 70.24 111.12 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.7 162.13 84.58 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.712 -1.787 . . . . 74.01 112.344 -0.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 110.52 2.58 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.692 2.261 . . . . 72.53 112.342 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.435 ' HB ' HG22 ' A' ' 2' ' ' THR . 0.2 OUTLIER -77.3 139.71 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 63.42 111.121 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.4 m -141.4 122.84 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 61.51 110.99 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -121.44 32.08 6.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.457 . . . . 64.23 110.836 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.488 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.488 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 61.41 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 62.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 74.15 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -153.69 25.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.51 111.119 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.894 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -157.81 151.32 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.13 111.103 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 t -66.92 172.73 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 64.42 110.779 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.506 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 21.1 mm -52.11 131.03 41.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 55.1 111.2 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.8 141.51 66.22 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 -1.807 . . . . 64.31 112.345 -0.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.72 112.56 3.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 72.33 112.281 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.894 HG22 ' HB3' ' A' ' 3' ' ' ALA . 5.7 tt -100.81 110.87 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.112 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.7 m -108.05 146.96 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.896 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -120.62 33.73 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 63.3 110.827 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.421 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.421 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 73.41 110.854 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.966 0.412 . . . . 62.43 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -169.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 65.12 111.162 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.08 37.84 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 64.3 111.083 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -115.77 169.18 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.82 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -115.9 124.86 29.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 73.35 111.145 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.0 Cg_endo -69.85 169.42 63.79 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.634 -1.819 . . . . 70.03 112.326 0.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 135.11 29.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.28 . . . . 64.43 112.363 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.12 139.42 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 55.32 111.162 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -128.53 128.19 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.874 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -120.48 27.38 8.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 72.51 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.444 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.444 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.818 -179.903 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 62.12 110.87 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -158.07 30.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 75.14 111.173 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.806 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -156.98 154.07 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 62.33 111.118 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -75.81 170.64 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.824 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.796 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.2 tp -51.83 129.27 37.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 75.42 111.231 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.73 134.81 30.85 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.602 -1.833 . . . . 54.42 112.375 -0.066 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.796 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.74 126.49 13.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.726 2.284 . . . . 65.12 112.33 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.806 HG22 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -117.92 128.32 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.41 111.116 179.914 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -116.08 144.34 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.24 110.816 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -116.9 34.41 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.507 . . . . 75.24 110.938 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.52 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.52 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 60.44 110.865 179.952 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.939 0.399 . . . . 73.41 110.765 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 3' ' ' ALA . 3.5 m -110.75 152.4 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 74.43 111.143 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 2' ' ' THR . . . -88.54 -37.58 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 44.5 111.085 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -47.77 160.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 54.32 110.838 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.495 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 2.7 tp -113.3 130.4 23.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 72.35 111.139 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.8 170.3 59.34 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.663 -1.807 . . . . 43.32 112.392 -0.086 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 110.79 2.63 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 74.42 112.295 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -85.32 112.49 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.44 111.136 179.852 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.8 m -112.14 137.79 49.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.908 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -132.51 31.37 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 63.32 110.848 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.519 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.519 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 62.23 110.943 -179.969 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.39 . . . . 53.24 110.923 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.674 HG22 HG12 ' A' ' 8' ' ' ILE . 5.8 t -107.27 12.43 28.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 71.11 111.129 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 51.18 57.77 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 60.51 111.102 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 2' ' ' THR . 24.3 t -109.41 175.36 5.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.5 . . . . 63.41 110.864 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -126.05 107.87 24.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.683 0.754 . . . . 72.11 111.129 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.576 ' N ' HD13 ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.7 168.18 68.18 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.703 -1.79 . . . . 73.23 112.35 -0.147 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 132.83 24.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 73.01 112.399 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.674 HG12 HG22 ' A' ' 2' ' ' THR . 4.6 pt -121.55 142.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.127 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.6 m -124.62 130.49 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 71.11 110.933 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -113.79 28.76 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.884 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.462 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.462 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 74.21 110.934 -179.962 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.979 0.418 . . . . 75.45 110.877 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 t -159.21 23.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 64.21 111.113 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.586 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -138.49 141.83 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 71.1 111.104 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 m -64.63 164.61 11.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.923 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -50.54 127.56 24.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 73.43 111.142 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 136.18 37.54 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 -1.817 . . . . 70.33 112.385 -0.138 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' HG12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.8 125.06 11.68 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.275 . . . . 73.13 112.343 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.699 HD13 ' N ' ' A' ' 9' ' ' CYS . 0.3 OUTLIER -110.89 127.48 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 64.41 111.096 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.699 ' N ' HD13 ' A' ' 8' ' ' ILE . 32.8 m -108.05 151.18 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 52.24 110.872 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -127.87 35.09 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.979 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' DPN . . . . . 0.515 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.515 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 73.41 110.872 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.37 . . . . 70.44 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.3 p -101.49 -175.47 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.14 111.204 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.84 19.18 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 63.53 111.063 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.44 ' HB3' HG23 ' A' ' 8' ' ' ILE . 6.2 t -55.95 161.26 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 70.34 110.883 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 6' ' ' PRO . 4.2 tp -128.11 103.89 20.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 71.3 111.101 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.86 168.07 69.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 -1.799 . . . . 72.21 112.277 -0.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 150.66 68.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 74.45 112.268 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.44 HG23 ' HB3' ' A' ' 4' ' ' SER . 0.6 OUTLIER -118.14 152.79 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 65.45 111.107 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -140.29 109.14 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.963 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.01 110.833 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.059 0.457 . . . . 61.12 110.823 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 t -88.65 -171.14 3.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 75.45 111.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.17 -20.78 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 74.45 111.063 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -57.1 179.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.576 HD12 ' HD3' ' A' ' 7' ' ' PRO . 2.6 tp -135.67 130.27 18.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 64.22 111.127 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.8 Cg_endo -69.71 160.78 87.3 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.757 -1.768 . . . . 75.54 112.275 -0.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.77 160.96 47.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.659 2.239 . . . . 61.23 112.378 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.2 pt -138.91 153.01 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 64.11 111.088 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -135.29 109.47 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 61.31 110.842 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.863 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.2 m . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.97 0.414 . . . . 74.31 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.526 HG22 HG23 ' A' ' 8' ' ' ILE . 13.8 t -96.82 16.27 19.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.128 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.65 62.9 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 71.41 111.103 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.486 ' O ' HD13 ' A' ' 5' ' ' ILE . 12.8 t -115.93 -178.61 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.1 110.832 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 4' ' ' SER . 47.2 mm -139.32 102.8 7.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.69 . . . . 70.44 111.196 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.87 148.25 86.56 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 -1.795 . . . . 64.42 112.218 0.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 137.84 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 72.23 112.299 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -114.19 134.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 62.21 111.127 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -111.97 125.94 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.935 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 63.2 110.919 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.915 0.388 . . . . 70.43 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -149.91 28.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.4 111.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.73 139.82 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 43.53 111.125 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -59.01 164.88 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 42.23 110.902 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.82 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.2 tp -51.02 129.24 29.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 75.13 111.197 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.7 Cg_endo -69.73 137.62 44.71 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 -1.813 . . . . 63.4 112.343 -0.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.82 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.3 Cg_endo -69.77 120.22 7.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.608 2.205 . . . . 74.41 112.362 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.0 mt -103.49 112.82 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.21 111.119 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m -100.29 132.19 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 65.51 110.802 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.881 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.3 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.97 0.414 . . . . 70.24 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p -108.63 -163.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 74.13 111.043 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.9 64.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.103 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 168.42 10.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 43.02 110.839 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -127.31 105.52 21.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 55.32 111.086 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 168.32 68.11 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.676 -1.802 . . . . 72.42 112.294 -0.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 141.8 45.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.232 . . . . 71.43 112.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 134.61 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 50.34 111.107 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -106.03 155.76 19.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.807 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.86 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.958 0.408 . . . . 75.43 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -152.72 28.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 70.04 111.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.74 137.07 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.2 111.091 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -51.48 159.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 65.24 110.897 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.505 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 35.8 mm -50.62 131.76 27.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.705 0.764 . . . . 75.52 111.095 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.81 146.5 82.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.706 -1.789 . . . . 44.05 112.348 -0.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 124.61 11.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 73.41 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.09 111.78 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 72.34 111.155 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.4 121.87 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.829 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.857 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.7 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.904 0.383 . . . . 63.12 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.3 p -109.0 -167.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 51.23 111.162 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.34 68.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 70.44 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -115.79 166.76 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 41.13 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 6' ' ' PRO . 3.7 tp -127.56 104.36 21.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 75.4 111.178 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.556 ' HA ' HD12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.72 169.33 63.7 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 -1.797 . . . . 52.1 112.357 -0.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.44 50.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.246 . . . . 53.15 112.336 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 135.34 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 73.21 111.169 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -109.28 151.64 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 61.24 110.842 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.97 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.825 0.345 . . . . 65.1 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -155.72 28.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.219 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -145.42 139.85 27.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 m -55.74 160.52 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 72.22 110.828 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.825 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.3 tp -50.28 129.62 24.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.523 0.678 . . . . 72.12 111.165 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.82 140.86 63.2 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.635 -1.819 . . . . 72.32 112.376 -0.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.825 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.3 Cg_endo -69.74 120.23 7.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 74.22 112.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.3 mm -100.65 111.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 61.43 111.114 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.1 m -99.48 130.35 45.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.03 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.8 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.86 0.362 . . . . 64.14 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.0 28.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.156 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.434 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . . . -134.03 139.86 46.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 64.01 111.126 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -50.4 154.47 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.886 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 25.5 mm -49.1 132.27 15.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 64.31 111.081 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.74 153.52 92.94 Favored 'Cis proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.775 -1.761 . . . . 72.01 112.374 -0.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 125.69 12.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.273 . . . . 71.12 112.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 60.8 mt -111.25 111.85 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 64.23 111.134 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.0 m -96.9 128.34 43.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 62.2 110.882 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.4 p80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 72.5 110.858 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.996 0.426 . . . . 72.14 110.795 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.698 HG22 HG13 ' A' ' 8' ' ' ILE . 14.8 t -120.99 7.59 10.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 65.12 111.119 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 48.39 65.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 64.42 111.092 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 t -115.94 -176.51 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 52.44 110.904 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.0 mm -138.52 102.54 7.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.672 0.749 . . . . 74.34 111.156 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 148.64 87.36 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.684 -1.798 . . . . 75.12 112.276 -0.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 152.69 69.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.694 2.263 . . . . 71.35 112.353 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.698 HG13 HG22 ' A' ' 2' ' ' THR . 1.2 pp -132.23 149.18 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 62.24 111.191 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.07 128.97 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.884 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.898 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.853 0.359 . . . . 60.14 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -153.16 30.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.14 111.133 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.83 160.04 40.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 54.32 111.174 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -56.21 -178.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.885 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.514 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 12.0 mm -86.13 131.61 46.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.753 . . . . 70.24 111.09 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.67 138.45 48.91 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 -1.788 . . . . 64.23 112.37 -0.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' HG23 ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.7 133.64 26.17 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 74.13 112.365 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.84 121.66 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 63.34 111.152 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.9 m -96.25 130.43 43.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.793 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 65.24 110.856 179.869 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.867 0.365 . . . . 74.13 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.632 HG22 ' H ' ' A' ' 8' ' ' ILE . 5.8 t -75.25 -171.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 51.44 111.13 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.97 -5.27 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.042 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 p -116.06 167.9 10.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.367 -0.379 . . . . 74.42 110.856 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.547 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.1 mp -98.08 144.98 29.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.717 . . . . 73.2 111.184 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.1 Cg_endo -69.81 169.42 63.68 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 -1.805 . . . . 75.33 112.315 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 143.5 51.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.689 2.26 . . . . 75.13 112.39 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.632 ' H ' HG22 ' A' ' 2' ' ' THR . 2.5 mt -136.26 137.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 74.02 111.131 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.8 m -141.29 109.27 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 54.04 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.855 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.83 0.348 . . . . 73.3 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -154.34 28.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 44.42 111.152 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -149.15 140.7 23.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.109 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.62 163.5 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 54.25 110.858 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.813 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.3 tp -50.57 128.84 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.708 . . . . 72.32 111.193 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.85 138.68 50.61 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 -1.801 . . . . 73.21 112.391 0.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.813 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.73 118.88 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.733 2.289 . . . . 73.34 112.309 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.6 mm -98.16 111.84 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 73.2 111.089 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.3 m -98.65 132.78 43.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.936 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 74.53 110.808 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.916 0.389 . . . . 74.42 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -163.84 175.78 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.42 111.125 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.715 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . 64.13 157.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 43.34 111.11 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -85.97 177.27 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.906 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.871 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.4 tp -50.24 131.51 24.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.589 0.709 . . . . 73.44 111.198 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.68 144.68 77.15 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 -1.79 . . . . 70.23 112.367 -0.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.871 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.66 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 73.4 112.322 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.715 HG22 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -109.59 142.63 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.3 111.139 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.6 m -122.47 145.93 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.836 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.8 p80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 63.54 110.912 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.869 0.366 . . . . 63.22 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -144.96 30.52 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 61.2 111.094 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.582 ' HB3' ' CG1' ' A' ' 8' ' ' ILE . . . -153.52 152.69 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 42.33 111.099 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 p -64.43 -179.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 71.12 110.863 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.517 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 10.8 mm -68.25 132.59 91.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 51.33 111.165 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.0 Cg_endo -69.75 137.93 46.38 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.632 -1.82 . . . . 73.3 112.37 -0.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.76 127.94 15.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 72.13 112.422 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.582 ' CG1' ' HB3' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -114.67 111.92 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 61.44 111.08 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.68 123.0 40.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 60.43 110.861 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.867 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.94 0.4 . . . . 63.21 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.709 HG22 ' H ' ' A' ' 8' ' ' ILE . 2.3 t -81.5 -174.75 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 63.52 111.189 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.13 -5.12 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 74.24 111.055 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 p -96.14 179.44 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.845 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.523 HG23 ' HA ' ' A' ' 6' ' ' PRO . 49.5 mm -120.3 134.33 24.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 62.24 111.202 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.523 ' HA ' HG23 ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 161.5 86.09 Favored 'Cis proline' 0 C--N 1.343 0.245 0 C-N-CA 122.621 -1.824 . . . . 72.23 112.308 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 165.62 30.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 2.252 . . . . 65.31 112.362 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.709 ' H ' HG22 ' A' ' 2' ' ' THR . 0.3 OUTLIER -140.7 141.17 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 72.53 111.16 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -144.38 109.15 4.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 43.31 110.944 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 72.25 110.875 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.995 0.426 . . . . 43.02 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -165.65 30.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.102 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -137.95 139.53 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 45.42 111.146 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -50.39 155.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.863 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 33.7 mm -50.14 130.65 23.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 73.22 111.125 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.8 Cg_endo -69.8 145.85 80.65 Favored 'Cis proline' 0 C--N 1.343 0.244 0 C-N-CA 122.661 -1.808 . . . . 73.41 112.326 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 121.08 7.76 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.706 2.271 . . . . 73.5 112.334 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.58 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.7 mm -102.56 111.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.1 111.129 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.7 m -94.72 113.85 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 41.13 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.804 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.88 0.371 . . . . 75.45 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.435 HG22 ' HB ' ' A' ' 8' ' ' ILE . 6.0 t -75.25 -163.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.12 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.416 ' N ' HG23 ' A' ' 2' ' ' THR . . . -119.36 -29.57 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.102 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -51.1 156.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.946 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 48.2 mm -107.33 132.75 20.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.66 0.743 . . . . 70.24 111.12 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.7 162.13 84.58 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.712 -1.787 . . . . 74.01 112.344 -0.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 110.52 2.58 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.692 2.261 . . . . 72.53 112.342 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.435 ' HB ' HG22 ' A' ' 2' ' ' THR . 0.2 OUTLIER -77.3 139.71 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 63.42 111.121 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.4 m -141.4 122.84 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 61.51 110.99 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.457 . . . . 64.23 110.836 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 62.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 74.15 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -153.69 25.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.51 111.119 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.894 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -157.81 151.32 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.13 111.103 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 t -66.92 172.73 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 64.42 110.779 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.506 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 21.1 mm -52.11 131.03 41.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 55.1 111.2 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.8 141.51 66.22 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 -1.807 . . . . 64.31 112.345 -0.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.72 112.56 3.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 72.33 112.281 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.894 HG22 ' HB3' ' A' ' 3' ' ' ALA . 5.7 tt -100.81 110.87 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.112 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.7 m -108.05 146.96 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.896 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 63.3 110.827 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.966 0.412 . . . . 62.43 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -169.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 65.12 111.162 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.08 37.84 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 64.3 111.083 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -115.77 169.18 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.82 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -115.9 124.86 29.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 73.35 111.145 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.0 Cg_endo -69.85 169.42 63.79 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.634 -1.819 . . . . 70.03 112.326 0.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 135.11 29.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.28 . . . . 64.43 112.363 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.12 139.42 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 55.32 111.162 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -128.53 128.19 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.874 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 72.51 110.874 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 62.12 110.87 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -158.07 30.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 75.14 111.173 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.806 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -156.98 154.07 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 62.33 111.118 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -75.81 170.64 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.824 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.796 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.2 tp -51.83 129.27 37.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 75.42 111.231 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.73 134.81 30.85 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.602 -1.833 . . . . 54.42 112.375 -0.066 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.796 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.74 126.49 13.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.726 2.284 . . . . 65.12 112.33 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.806 HG22 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -117.92 128.32 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.41 111.116 179.914 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -116.08 144.34 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.24 110.816 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.507 . . . . 75.24 110.938 179.903 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.939 0.399 . . . . 73.41 110.765 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 3' ' ' ALA . 3.5 m -110.75 152.4 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 74.43 111.143 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 2' ' ' THR . . . -88.54 -37.58 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 44.5 111.085 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -47.77 160.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 54.32 110.838 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.495 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 2.7 tp -113.3 130.4 23.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 72.35 111.139 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.8 170.3 59.34 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.663 -1.807 . . . . 43.32 112.392 -0.086 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 110.79 2.63 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 74.42 112.295 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -85.32 112.49 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.44 111.136 179.852 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.8 m -112.14 137.79 49.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.908 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 63.32 110.848 179.977 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.39 . . . . 53.24 110.923 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.674 HG22 HG12 ' A' ' 8' ' ' ILE . 5.8 t -107.27 12.43 28.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 71.11 111.129 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 51.18 57.77 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 60.51 111.102 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 2' ' ' THR . 24.3 t -109.41 175.36 5.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.5 . . . . 63.41 110.864 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -126.05 107.87 24.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.683 0.754 . . . . 72.11 111.129 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.576 ' N ' HD13 ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.7 168.18 68.18 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.703 -1.79 . . . . 73.23 112.35 -0.147 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 132.83 24.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 73.01 112.399 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.674 HG12 HG22 ' A' ' 2' ' ' THR . 4.6 pt -121.55 142.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.127 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.6 m -124.62 130.49 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 71.11 110.933 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.884 179.978 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.979 0.418 . . . . 75.45 110.877 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 t -159.21 23.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 64.21 111.113 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.586 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -138.49 141.83 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 71.1 111.104 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 m -64.63 164.61 11.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.923 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -50.54 127.56 24.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 73.43 111.142 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 136.18 37.54 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 -1.817 . . . . 70.33 112.385 -0.138 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' HG12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.8 125.06 11.68 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.275 . . . . 73.13 112.343 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.699 HD13 ' N ' ' A' ' 9' ' ' CYS . 0.3 OUTLIER -110.89 127.48 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 64.41 111.096 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.699 ' N ' HD13 ' A' ' 8' ' ' ILE . 32.8 m -108.05 151.18 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 52.24 110.872 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.979 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.37 . . . . 70.44 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.3 p -101.49 -175.47 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.14 111.204 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.84 19.18 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 63.53 111.063 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.44 ' HB3' HG23 ' A' ' 8' ' ' ILE . 6.2 t -55.95 161.26 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 70.34 110.883 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 6' ' ' PRO . 4.2 tp -128.11 103.89 20.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 71.3 111.101 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.86 168.07 69.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 -1.799 . . . . 72.21 112.277 -0.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 150.66 68.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 74.45 112.268 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.44 HG23 ' HB3' ' A' ' 4' ' ' SER . 0.6 OUTLIER -118.14 152.79 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 65.45 111.107 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -140.29 109.14 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.963 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -105.25 32.21 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.01 110.833 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.455 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.455 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 42.12 110.849 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.059 0.457 . . . . 61.12 110.823 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 t -88.65 -171.14 3.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 75.45 111.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.17 -20.78 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 74.45 111.063 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -57.1 179.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.576 HD12 ' HD3' ' A' ' 7' ' ' PRO . 2.6 tp -135.67 130.27 18.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 64.22 111.127 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.8 Cg_endo -69.71 160.78 87.3 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.757 -1.768 . . . . 75.54 112.275 -0.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.77 160.96 47.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.659 2.239 . . . . 61.23 112.378 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.2 pt -138.91 153.01 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 64.11 111.088 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -135.29 109.47 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 61.31 110.842 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -102.27 27.63 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.863 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.498 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.498 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.927 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.2 m . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.97 0.414 . . . . 74.31 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.526 HG22 HG23 ' A' ' 8' ' ' ILE . 13.8 t -96.82 16.27 19.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.128 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.65 62.9 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 71.41 111.103 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.486 ' O ' HD13 ' A' ' 5' ' ' ILE . 12.8 t -115.93 -178.61 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.1 110.832 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 4' ' ' SER . 47.2 mm -139.32 102.8 7.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.69 . . . . 70.44 111.196 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.87 148.25 86.56 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 -1.795 . . . . 64.42 112.218 0.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 137.84 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 72.23 112.299 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -114.19 134.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 62.21 111.127 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -111.97 125.94 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.935 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -109.46 29.07 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 63.2 110.919 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.443 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.443 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.838 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.915 0.388 . . . . 70.43 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -149.91 28.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.4 111.158 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.73 139.82 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 43.53 111.125 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -59.01 164.88 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 42.23 110.902 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.82 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.2 tp -51.02 129.24 29.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 75.13 111.197 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.7 Cg_endo -69.73 137.62 44.71 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 -1.813 . . . . 63.4 112.343 -0.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.82 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.3 Cg_endo -69.77 120.22 7.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.608 2.205 . . . . 74.41 112.362 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.0 mt -103.49 112.82 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.21 111.119 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m -100.29 132.19 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 65.51 110.802 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -109.35 29.0 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.881 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.864 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.3 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.97 0.414 . . . . 70.24 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p -108.63 -163.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 74.13 111.043 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.9 64.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.103 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 168.42 10.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 43.02 110.839 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -127.31 105.52 21.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 55.32 111.086 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 168.32 68.11 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.676 -1.802 . . . . 72.42 112.294 -0.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 141.8 45.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.232 . . . . 71.43 112.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 134.61 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 50.34 111.107 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -106.03 155.76 19.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.807 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -129.68 26.94 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.86 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.503 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.503 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.863 -179.885 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.958 0.408 . . . . 75.43 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -152.72 28.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 70.04 111.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.74 137.07 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.2 111.091 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -51.48 159.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 65.24 110.897 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.505 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 35.8 mm -50.62 131.76 27.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.705 0.764 . . . . 75.52 111.095 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.81 146.5 82.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.706 -1.789 . . . . 44.05 112.348 -0.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 124.61 11.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 73.41 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.09 111.78 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 72.34 111.155 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.0 m -96.4 121.87 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.829 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.27 26.6 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.857 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.418 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.418 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 75.45 110.85 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.7 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.904 0.383 . . . . 63.12 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.3 p -109.0 -167.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 51.23 111.162 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.34 68.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 70.44 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -115.79 166.76 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 41.13 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 6' ' ' PRO . 3.7 tp -127.56 104.36 21.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 75.4 111.178 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.556 ' HA ' HD12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.72 169.33 63.7 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 -1.797 . . . . 52.1 112.357 -0.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.44 50.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.246 . . . . 53.15 112.336 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 135.34 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 73.21 111.169 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.8 m -109.28 151.64 26.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 61.24 110.842 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -125.34 26.92 6.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.97 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.493 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.493 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.818 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.825 0.345 . . . . 65.1 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -155.72 28.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.219 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -145.42 139.85 27.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 m -55.74 160.52 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 72.22 110.828 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.825 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.3 tp -50.28 129.62 24.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.523 0.678 . . . . 72.12 111.165 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.9 Cg_endo -69.82 140.86 63.2 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.635 -1.819 . . . . 72.32 112.376 -0.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.825 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.3 Cg_endo -69.74 120.23 7.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 74.22 112.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.3 mm -100.65 111.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 61.43 111.114 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.1 m -99.48 130.35 45.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.03 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -107.41 28.86 7.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.8 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.82 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.86 0.362 . . . . 64.14 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.0 28.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.156 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.434 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . . . -134.03 139.86 46.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 64.01 111.126 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -50.4 154.47 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.886 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 25.5 mm -49.1 132.27 15.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 64.31 111.081 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.74 153.52 92.94 Favored 'Cis proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.775 -1.761 . . . . 72.01 112.374 -0.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 125.69 12.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.273 . . . . 71.12 112.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 60.8 mt -111.25 111.85 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 64.23 111.134 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.0 m -96.9 128.34 43.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 62.2 110.882 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -105.18 29.03 6.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 72.5 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.427 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.427 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.351 -0.386 . . . . 75.32 110.88 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.996 0.426 . . . . 72.14 110.795 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.698 HG22 HG13 ' A' ' 8' ' ' ILE . 14.8 t -120.99 7.59 10.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 65.12 111.119 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 48.39 65.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 64.42 111.092 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 t -115.94 -176.51 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 52.44 110.904 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.0 mm -138.52 102.54 7.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.672 0.749 . . . . 74.34 111.156 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 148.64 87.36 Favored 'Cis proline' 0 C--N 1.343 0.239 0 C-N-CA 122.684 -1.798 . . . . 75.12 112.276 -0.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 152.69 69.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.694 2.263 . . . . 71.35 112.353 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.698 HG13 HG22 ' A' ' 2' ' ' THR . 1.2 pp -132.23 149.18 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 62.24 111.191 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.07 128.97 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.884 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -121.76 30.69 6.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.898 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.455 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.455 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 70.13 110.925 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.853 0.359 . . . . 60.14 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -153.16 30.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.14 111.133 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.83 160.04 40.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 54.32 111.174 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 t -56.21 -178.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.885 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 12.0 mm -86.13 131.61 46.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.753 . . . . 70.24 111.09 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.67 138.45 48.91 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 -1.788 . . . . 64.23 112.37 -0.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' HG23 ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.7 133.64 26.17 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 74.13 112.365 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.84 121.66 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 63.34 111.152 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.9 m -96.25 130.43 43.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.793 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -106.7 33.68 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 65.24 110.856 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.503 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.503 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 61.42 110.822 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.867 0.365 . . . . 74.13 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.632 HG22 ' H ' ' A' ' 8' ' ' ILE . 5.8 t -75.25 -171.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 51.44 111.13 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.97 -5.27 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.042 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 p -116.06 167.9 10.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.367 -0.379 . . . . 74.42 110.856 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.547 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 1.1 mp -98.08 144.98 29.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.717 . . . . 73.2 111.184 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.1 Cg_endo -69.81 169.42 63.68 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 -1.805 . . . . 75.33 112.315 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 143.5 51.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.689 2.26 . . . . 75.13 112.39 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.632 ' H ' HG22 ' A' ' 2' ' ' THR . 2.5 mt -136.26 137.26 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 74.02 111.131 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.8 m -141.29 109.27 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 54.04 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -99.23 28.44 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.855 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.421 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.421 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.879 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.83 0.348 . . . . 73.3 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -154.34 28.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 44.42 111.152 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -149.15 140.7 23.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.109 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.62 163.5 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 54.25 110.858 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.813 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.3 tp -50.57 128.84 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.708 . . . . 72.32 111.193 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.85 138.68 50.61 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 -1.801 . . . . 73.21 112.391 0.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.813 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.73 118.88 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.733 2.289 . . . . 73.34 112.309 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.6 mm -98.16 111.84 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 73.2 111.089 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.3 m -98.65 132.78 43.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.936 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -115.38 35.19 4.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 74.53 110.808 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.485 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.485 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.77 -179.881 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.916 0.389 . . . . 74.42 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -163.84 175.78 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.42 111.125 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.715 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . 64.13 157.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 43.34 111.11 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -85.97 177.27 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.906 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.871 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.4 tp -50.24 131.51 24.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.589 0.709 . . . . 73.44 111.198 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.2 Cg_endo -69.68 144.68 77.15 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 -1.79 . . . . 70.23 112.367 -0.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.871 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.5 Cg_endo -69.66 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 73.4 112.322 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.715 HG22 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -109.59 142.63 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.3 111.139 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.6 m -122.47 145.93 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.836 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -124.94 33.87 5.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 63.54 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.515 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.515 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 73.51 110.853 -179.887 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.869 0.366 . . . . 63.22 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -144.96 30.52 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 61.2 111.094 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.582 ' HB3' ' CG1' ' A' ' 8' ' ' ILE . . . -153.52 152.69 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 42.33 111.099 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 p -64.43 -179.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 71.12 110.863 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 10.8 mm -68.25 132.59 91.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 51.33 111.165 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.0 Cg_endo -69.75 137.93 46.38 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.632 -1.82 . . . . 73.3 112.37 -0.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.76 127.94 15.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 72.13 112.422 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.582 ' CG1' ' HB3' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -114.67 111.92 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 61.44 111.08 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.68 123.0 40.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 60.43 110.861 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -96.96 27.63 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.867 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.4 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.4 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.879 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.94 0.4 . . . . 63.21 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.709 HG22 ' H ' ' A' ' 8' ' ' ILE . 2.3 t -81.5 -174.75 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 63.52 111.189 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.13 -5.12 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 74.24 111.055 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 p -96.14 179.44 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.845 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.523 HG23 ' HA ' ' A' ' 6' ' ' PRO . 49.5 mm -120.3 134.33 24.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 62.24 111.202 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.523 ' HA ' HG23 ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 161.5 86.09 Favored 'Cis proline' 0 C--N 1.343 0.245 0 C-N-CA 122.621 -1.824 . . . . 72.23 112.308 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 165.62 30.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 2.252 . . . . 65.31 112.362 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.709 ' H ' HG22 ' A' ' 2' ' ' THR . 0.3 OUTLIER -140.7 141.17 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 72.53 111.16 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -144.38 109.15 4.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 43.31 110.944 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -111.6 31.92 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 72.25 110.875 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.459 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.459 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 75.33 110.861 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.995 0.426 . . . . 43.02 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -165.65 30.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.102 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' HG12 ' A' ' 8' ' ' ILE . . . -137.95 139.53 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 45.42 111.146 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -50.39 155.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.863 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 33.7 mm -50.14 130.65 23.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 73.22 111.125 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 52.8 Cg_endo -69.8 145.85 80.65 Favored 'Cis proline' 0 C--N 1.343 0.244 0 C-N-CA 122.661 -1.808 . . . . 73.41 112.326 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 121.08 7.76 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.706 2.271 . . . . 73.5 112.334 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.58 HG12 ' HB3' ' A' ' 3' ' ' ALA . 6.7 mm -102.56 111.7 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.1 111.129 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.7 m -94.72 113.85 25.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 41.13 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -95.23 36.66 1.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.804 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.495 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.495 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.872 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.88 0.371 . . . . 75.45 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.435 HG22 ' HB ' ' A' ' 8' ' ' ILE . 6.0 t -75.25 -163.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.12 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' N ' HG23 ' A' ' 2' ' ' THR . . . -119.36 -29.57 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.102 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -51.1 156.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.946 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 48.2 mm -107.33 132.75 20.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.66 0.743 . . . . 70.24 111.12 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.6 Cg_endo -69.7 162.13 84.58 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.712 -1.787 . . . . 74.01 112.344 -0.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 110.52 2.58 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.692 2.261 . . . . 72.53 112.342 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.435 ' HB ' HG22 ' A' ' 2' ' ' THR . 0.2 OUTLIER -77.3 139.71 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 63.42 111.121 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.4 m -141.4 122.84 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 61.51 110.99 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -121.44 32.08 6.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.457 . . . . 64.23 110.836 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.488 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.488 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 61.41 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 62.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 74.15 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -153.69 25.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.51 111.119 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.894 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -157.81 151.32 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.13 111.103 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 t -66.92 172.73 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 64.42 110.779 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.506 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 21.1 mm -52.11 131.03 41.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 55.1 111.2 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 54.3 Cg_endo -69.8 141.51 66.22 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 -1.807 . . . . 64.31 112.345 -0.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' HD12 ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.72 112.56 3.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 72.33 112.281 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.894 HG22 ' HB3' ' A' ' 3' ' ' ALA . 5.7 tt -100.81 110.87 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.112 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.7 m -108.05 146.96 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.896 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -120.62 33.73 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 63.3 110.827 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.421 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.421 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 73.41 110.854 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.966 0.412 . . . . 62.43 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -169.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 65.12 111.162 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.08 37.84 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 64.3 111.083 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -115.77 169.18 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.82 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -115.9 124.86 29.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 73.35 111.145 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.0 Cg_endo -69.85 169.42 63.79 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.634 -1.819 . . . . 70.03 112.326 0.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 135.11 29.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.28 . . . . 64.43 112.363 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.12 139.42 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 55.32 111.162 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.7 m -128.53 128.19 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.874 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -120.48 27.38 8.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 72.51 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.444 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.444 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.818 -179.903 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 62.12 110.87 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -158.07 30.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 75.14 111.173 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.806 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -156.98 154.07 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 62.33 111.118 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -75.81 170.64 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.824 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.796 HD12 ' HD3' ' A' ' 7' ' ' PRO . 1.2 tp -51.83 129.27 37.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 75.42 111.231 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.7 Cg_endo -69.73 134.81 30.85 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.602 -1.833 . . . . 54.42 112.375 -0.066 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.796 ' HD3' HD12 ' A' ' 5' ' ' ILE . 54.4 Cg_endo -69.74 126.49 13.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.726 2.284 . . . . 65.12 112.33 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.806 HG22 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -117.92 128.32 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.41 111.116 179.914 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -116.08 144.34 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.24 110.816 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -116.9 34.41 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.507 . . . . 75.24 110.938 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.52 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.52 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 60.44 110.865 179.952 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.939 0.399 . . . . 73.41 110.765 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 3' ' ' ALA . 3.5 m -110.75 152.4 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 74.43 111.143 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 2' ' ' THR . . . -88.54 -37.58 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 44.5 111.085 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -47.77 160.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 54.32 110.838 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.495 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 2.7 tp -113.3 130.4 23.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 72.35 111.139 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.4 Cg_endo -69.8 170.3 59.34 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.663 -1.807 . . . . 43.32 112.392 -0.086 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 110.79 2.63 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 74.42 112.295 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -85.32 112.49 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.44 111.136 179.852 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.8 m -112.14 137.79 49.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.908 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -132.51 31.37 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 63.32 110.848 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.519 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.519 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 62.23 110.943 -179.969 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.39 . . . . 53.24 110.923 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.674 HG22 HG12 ' A' ' 8' ' ' ILE . 5.8 t -107.27 12.43 28.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 71.11 111.129 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 51.18 57.77 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 60.51 111.102 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 2' ' ' THR . 24.3 t -109.41 175.36 5.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.5 . . . . 63.41 110.864 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -126.05 107.87 24.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.683 0.754 . . . . 72.11 111.129 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.576 ' N ' HD13 ' A' ' 5' ' ' ILE . 53.9 Cg_endo -69.7 168.18 68.18 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.703 -1.79 . . . . 73.23 112.35 -0.147 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 132.83 24.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 73.01 112.399 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.674 HG12 HG22 ' A' ' 2' ' ' THR . 4.6 pt -121.55 142.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.127 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.6 m -124.62 130.49 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 71.11 110.933 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -113.79 28.76 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.884 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.462 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.462 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 74.21 110.934 -179.962 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.979 0.418 . . . . 75.45 110.877 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 t -159.21 23.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 64.21 111.113 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.586 ' HB3' HG22 ' A' ' 8' ' ' ILE . . . -138.49 141.83 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 71.1 111.104 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 m -64.63 164.61 11.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.923 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -50.54 127.56 24.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 73.43 111.142 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 5' ' ' ILE . 53.5 Cg_endo -69.78 136.18 37.54 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 -1.817 . . . . 70.33 112.385 -0.138 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' HG12 ' A' ' 5' ' ' ILE . 54.1 Cg_endo -69.8 125.06 11.68 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.275 . . . . 73.13 112.343 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.699 HD13 ' N ' ' A' ' 9' ' ' CYS . 0.3 OUTLIER -110.89 127.48 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 64.41 111.096 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.699 ' N ' HD13 ' A' ' 8' ' ' ILE . 32.8 m -108.05 151.18 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 52.24 110.872 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -127.87 35.09 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.979 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' DPN . . . . . 0.515 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.515 ' HC1' ' HA ' ' A' ' 11' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 73.41 110.872 -179.99 . . . . . . . . 0 0 . 1 stop_ save_